ISOCETANE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H34
Molecular Weight	226.4412
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOCETANE

Structure Search

SMILES

CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C

InChI

InChIKey=VCLJODPNBNEBKW-UHFFFAOYSA-N

InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3

HIDE SMILES / InChI

Molecular Formula	C16H34
Molecular Weight	226.4412
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

PubMed

Title	Date	PubMed
Genome sequence of the deltaproteobacterial strain NaphS2 and analysis of differential gene expression during anaerobic growth on naphthalene.	2010 Nov 19	21124915

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:56:58 GMT 2023` Edited by `admin` on `Sat Dec 16 10:56:58 GMT 2023`
Record UNII	8LP0677305
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOCETANE

Common Name

English

J125.176G

Code

English

CYPRANE

Common Name

English

NONANE, 2,2,4,4,6,8,8-HEPTAMETHYL-

Systematic Name

English

(±)-2,2,4,4,6,8,8-HEPTAMETHYLNONANE

Systematic Name

English

NSC-77129

Code

English

2,2,4,4,6,8,8-HEPTAMETHYLNONANE

Systematic Name

English

Code System Code Type Description

SMS_ID

100000141715

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

PRIMARY

RXCUI

1987477

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

ALTERNATIVE

CAS

4390-04-9

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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DAILYMED

8LP0677305

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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WIKIPEDIA

ISOCETANE

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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FDA UNII

8LP0677305

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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PUBCHEM

20414

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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EVMPD

SUB96178

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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EPA CompTox

DTXSID7052101

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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RXCUI

1362933

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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RxNorm

NSC

77129

Created by admin on Sat Dec 16 10:56:58 GMT 2023 , Edited by admin on Sat Dec 16 10:56:58 GMT 2023

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