2,2,4,4,6-PENTAMETHYLHEPTANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H26
Molecular Weight	170.3348
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,4,4,6-PENTAMETHYLHEPTANE

Structure Search

SMILES

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

InChI

InChIKey=NOFQKTWPZFUCOO-UHFFFAOYSA-N

InChI=1S/C12H26/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3

HIDE SMILES / InChI

Molecular Formula	C12H26
Molecular Weight	170.3348
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 19:17:02 GMT 2025` Edited by `admin` on `Tue Apr 01 19:17:02 GMT 2025`
Record UNII	Y6GD2HP5GQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEPTANE, 2,2,4,4,6-PENTAMETHYL-

Preferred Name

English

2,2,4,4,6-PENTAMETHYLHEPTANE

Systematic Name

English

Code System Code Type Description

CAS

62199-62-6

Created by admin on Tue Apr 01 19:17:02 GMT 2025 , Edited by admin on Tue Apr 01 19:17:02 GMT 2025

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PUBCHEM

112817

Created by admin on Tue Apr 01 19:17:02 GMT 2025 , Edited by admin on Tue Apr 01 19:17:02 GMT 2025

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FDA UNII

Y6GD2HP5GQ

Created by admin on Tue Apr 01 19:17:02 GMT 2025 , Edited by admin on Tue Apr 01 19:17:02 GMT 2025

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CAS

288094-77-9

Created by admin on Tue Apr 01 19:17:02 GMT 2025 , Edited by admin on Tue Apr 01 19:17:02 GMT 2025

GENERIC (FAMILY)

EPA CompTox

DTXSID9069550

Created by admin on Tue Apr 01 19:17:02 GMT 2025 , Edited by admin on Tue Apr 01 19:17:02 GMT 2025

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ECHA (EC/EINECS)

263-451-4

Created by admin on Tue Apr 01 19:17:02 GMT 2025 , Edited by admin on Tue Apr 01 19:17:02 GMT 2025

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