4,6,6-Trimethyl-3-hepten-2-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H18O
Molecular Weight	154.2493
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4,6,6-Trimethyl-3-hepten-2-one

Structure Search

SMILES

CC(=O)\C=C(/C)CC(C)(C)C

InChI

InChIKey=YQNTTZALAZYHKN-SOFGYWHQSA-N

InChI=1S/C10H18O/c1-8(6-9(2)11)7-10(3,4)5/h6H,7H2,1-5H3/b8-6+

HIDE SMILES / InChI

Molecular Formula	C10H18O
Molecular Weight	154.2493
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 `Wed Apr 02 11:18:57 GMT 2025` Edited by `admin` on `Wed Apr 02 11:18:57 GMT 2025`
Record UNII	3T7B58B99K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3E)-4,6,6-Trimethyl-3-hepten-2-one

Preferred Name

English

4,6,6-Trimethyl-3-hepten-2-one

Systematic Name

English

3-Hepten-2-one, 4,6,6-trimethyl-

Systematic Name

English

3-Hepten-2-one, 4,6,6-trimethyl-, (3E)-

Systematic Name

English

3-Hepten-2-one, 4,6,6-trimethyl-, (E)-

Systematic Name

English

Code System Code Type Description

CAS

67511-31-3

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

3T7B58B99K

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

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CAS

23732-00-5

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

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EPA CompTox

DTXSID601306243

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

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PUBCHEM

6365635

Created by admin on Wed Apr 02 11:18:57 GMT 2025 , Edited by admin on Wed Apr 02 11:18:57 GMT 2025

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