3,3-DIMETHYLHEXANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H18
Molecular Weight	114.2285
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3-DIMETHYLHEXANE

Structure Search

SMILES

CCCC(C)(C)CC

InChI

InChIKey=KUMXLFIBWFCMOJ-UHFFFAOYSA-N

InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C8H18
Molecular Weight	114.2285
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:37:39 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:39 GMT 2025`
Record UNII	5Y25PZR32U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-74174

Preferred Name

English

3,3-DIMETHYLHEXANE

Systematic Name

English

HEXANE, 3,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

209-243-9

Created by admin on Tue Apr 01 20:37:39 GMT 2025 , Edited by admin on Tue Apr 01 20:37:39 GMT 2025

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CAS

563-16-6

Created by admin on Tue Apr 01 20:37:39 GMT 2025 , Edited by admin on Tue Apr 01 20:37:39 GMT 2025

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CHEBI

132182

Created by admin on Tue Apr 01 20:37:39 GMT 2025 , Edited by admin on Tue Apr 01 20:37:39 GMT 2025

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FDA UNII

5Y25PZR32U

Created by admin on Tue Apr 01 20:37:39 GMT 2025 , Edited by admin on Tue Apr 01 20:37:39 GMT 2025

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PUBCHEM

11233

Created by admin on Tue Apr 01 20:37:39 GMT 2025 , Edited by admin on Tue Apr 01 20:37:39 GMT 2025

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EPA CompTox

DTXSID2073194

Created by admin on Tue Apr 01 20:37:39 GMT 2025 , Edited by admin on Tue Apr 01 20:37:39 GMT 2025

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NSC

74174

Created by admin on Tue Apr 01 20:37:39 GMT 2025 , Edited by admin on Tue Apr 01 20:37:39 GMT 2025

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