4-METHYLHEPTANE

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

National Institutes of Health Divider Arrow

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 4-METHYLHEPTANE

Structure Search

SMILES

CCCC(C)CCC

InChI

InChIKey=CHBAWFGIXDBEBT-UHFFFAOYSA-N

InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3

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 18:07:08 GMT 2025` Edited by `admin` on `Tue Apr 01 18:07:08 GMT 2025`
Record UNII	N6BX267ALB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-METHYLHEPTANE

Systematic Name

English

NSC-73953

Preferred Name

English

HEPTANE, 4-METHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

209-650-1

Created by admin on Tue Apr 01 18:07:08 GMT 2025 , Edited by admin on Tue Apr 01 18:07:08 GMT 2025

PRIMARY

CHEBI

67193

Created by admin on Tue Apr 01 18:07:08 GMT 2025 , Edited by admin on Tue Apr 01 18:07:08 GMT 2025

PRIMARY

EPA CompTox

DTXSID6060428

Created by admin on Tue Apr 01 18:07:08 GMT 2025 , Edited by admin on Tue Apr 01 18:07:08 GMT 2025

PRIMARY

NSC

73953

Created by admin on Tue Apr 01 18:07:08 GMT 2025 , Edited by admin on Tue Apr 01 18:07:08 GMT 2025

PRIMARY

CAS

589-53-7

Created by admin on Tue Apr 01 18:07:08 GMT 2025 , Edited by admin on Tue Apr 01 18:07:08 GMT 2025

PRIMARY

PUBCHEM

11512

Created by admin on Tue Apr 01 18:07:08 GMT 2025 , Edited by admin on Tue Apr 01 18:07:08 GMT 2025

PRIMARY

FDA UNII

N6BX267ALB

Created by admin on Tue Apr 01 18:07:08 GMT 2025 , Edited by admin on Tue Apr 01 18:07:08 GMT 2025

PRIMARY