2-METHYL-3-HEPTENE, (3E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16
Molecular Weight	112.2126
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-3-HEPTENE, (3E)-

Structure Search

SMILES

CCC\C=C\C(C)C

InChI

InChIKey=CYEZJYAMLNTSKN-VOTSOKGWSA-N

InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+

HIDE SMILES / InChI

Molecular Formula	C8H16
Molecular Weight	112.2126
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:24:11 GMT 2025` Edited by `admin` on `Mon Mar 31 22:24:11 GMT 2025`
Record UNII	2D09XU76OG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYL-3-HEPTENE, (3E)-

Systematic Name

English

J110.413F

Preferred Name

English

3-HEPTENE, 2-METHYL-, (E)-

Systematic Name

English

(E)-2-METHYLHEPT-3-ENE

Systematic Name

English

3-HEPTENE, 2-METHYL-, (3E)-

Systematic Name

English

NSC-73950

Code

English

1,1-DIMETHYL-TRANS-2-HEXENE

Systematic Name

English

(E)-2-METHYL-3-HEPTENE

Systematic Name

English

2-METHYL-TRANS-3-HEPTENE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

1,1-DIMETHYL-TRANS-2-HEXENE

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

211-735-3

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

PRIMARY

PUBCHEM

5357255

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

PRIMARY

NSC

73950

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

PRIMARY

CAS

692-96-6

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

PRIMARY

FDA UNII

2D09XU76OG

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

PRIMARY

CAS

17618-76-7

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID701025812

Created by admin on Mon Mar 31 22:24:11 GMT 2025 , Edited by admin on Mon Mar 31 22:24:11 GMT 2025

PRIMARY