2,5-HEXANEDIOL, 2,5-DIMETHYL-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H18O2
Molecular Weight	146.2273
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-HEXANEDIOL, 2,5-DIMETHYL-

Structure Search

SMILES

CC(C)(O)CCC(C)(C)O

InChI

InChIKey=ZWNMRZQYWRLGMM-UHFFFAOYSA-N

InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C8H18O2
Molecular Weight	146.2273
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
2,5-Dimethyl-hexane-2,5-diyl bis-(4-nitro-phen-yl) dicarbonate.	2008 Mar 12	21202086

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:02:15 GMT 2023` Edited by `admin` on `Fri Dec 15 19:02:15 GMT 2023`
Record UNII	3PNB2S8721
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-HEXANEDIOL, 2,5-DIMETHYL-

Systematic Name

English

2,5-DIMETHYL-2,5-HEXANEDIOL

Systematic Name

English

2,5-DIMETHYL-2,5-HEXANEDIOL [HSDB]

Common Name

English

NSC-5595

Code

English

2,5-DIHYDROXY-2,5-DIMETHYLHEXANE

Systematic Name

English

1,1,4,4-TETRAMETHYL-1,4-BUTANEDIOL

Systematic Name

English

Code System Code Type Description

FDA UNII

3PNB2S8721

Created by admin on Fri Dec 15 19:02:15 GMT 2023 , Edited by admin on Fri Dec 15 19:02:15 GMT 2023

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PUBCHEM

8031

Created by admin on Fri Dec 15 19:02:15 GMT 2023 , Edited by admin on Fri Dec 15 19:02:15 GMT 2023

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EPA CompTox

DTXSID0026830

Created by admin on Fri Dec 15 19:02:15 GMT 2023 , Edited by admin on Fri Dec 15 19:02:15 GMT 2023

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ECHA (EC/EINECS)

203-731-5

Created by admin on Fri Dec 15 19:02:15 GMT 2023 , Edited by admin on Fri Dec 15 19:02:15 GMT 2023

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NSC

5595

Created by admin on Fri Dec 15 19:02:15 GMT 2023 , Edited by admin on Fri Dec 15 19:02:15 GMT 2023

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CAS

110-03-2

Created by admin on Fri Dec 15 19:02:15 GMT 2023 , Edited by admin on Fri Dec 15 19:02:15 GMT 2023

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HSDB

5395

Created by admin on Fri Dec 15 19:02:15 GMT 2023 , Edited by admin on Fri Dec 15 19:02:15 GMT 2023

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