PENTAMETHYLHEPTENONE, (3E)-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H22O
Molecular Weight	182.3025
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PENTAMETHYLHEPTENONE, (3E)-

Structure Search

SMILES

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

InChI

InChIKey=IXIYWQIFBRZMNR-CMDGGOBGSA-N

InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8+

HIDE SMILES / InChI

Molecular Formula	C12H22O
Molecular Weight	182.3025
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:29:32 GMT 2025` Edited by `admin` on `Mon Mar 31 18:29:32 GMT 2025`
Record UNII	794M63V15G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTAMETHYLHEPTENONE, (3E)-

Systematic Name

English

(E)-WOODY AMYLENE

Preferred Name

English

(E)-3,4,5,6,6-PENTAMETHYLHEPT-3-EN-2-ONE

Systematic Name

English

3-HEPTEN-2-ONE, 3,4,5,6,6-PENTAMETHYL-, (E)-

Systematic Name

English

3-HEPTEN-2-ONE, 3,4,5,6,6-PENTAMETHYL-, (3E)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

279-823-4

Created by admin on Mon Mar 31 18:29:32 GMT 2025 , Edited by admin on Mon Mar 31 18:29:32 GMT 2025

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FDA UNII

794M63V15G

Created by admin on Mon Mar 31 18:29:32 GMT 2025 , Edited by admin on Mon Mar 31 18:29:32 GMT 2025

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PUBCHEM

6365813

Created by admin on Mon Mar 31 18:29:32 GMT 2025 , Edited by admin on Mon Mar 31 18:29:32 GMT 2025

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CAS

81786-74-5

Created by admin on Mon Mar 31 18:29:32 GMT 2025 , Edited by admin on Mon Mar 31 18:29:32 GMT 2025

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EPA CompTox

DTXSID3052563

Created by admin on Mon Mar 31 18:29:32 GMT 2025 , Edited by admin on Mon Mar 31 18:29:32 GMT 2025

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