5,6-Dimethyl-5-hepten-2-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16O
Molecular Weight	140.2227
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,6-Dimethyl-5-hepten-2-one

Structure Search

SMILES

CC(=O)CCC(C)=C(C)C

InChI

InChIKey=HASNVACCRLSDMU-UHFFFAOYSA-N

InChI=1S/C9H16O/c1-7(2)8(3)5-6-9(4)10/h5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C9H16O
Molecular Weight	140.2227
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 `Sat Dec 16 11:48:43 GMT 2023` Edited by `admin` on `Sat Dec 16 11:48:43 GMT 2023`
Record UNII	8ZBM4Q2QH7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,6-Dimethyl-5-hepten-2-one

Systematic Name

English

5-Hepten-2-one, 5,6-dimethyl-

Systematic Name

English

Code System Code Type Description

CAS

687-68-3

Created by admin on Sat Dec 16 11:48:43 GMT 2023 , Edited by admin on Sat Dec 16 11:48:43 GMT 2023

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FDA UNII

8ZBM4Q2QH7

Created by admin on Sat Dec 16 11:48:43 GMT 2023 , Edited by admin on Sat Dec 16 11:48:43 GMT 2023

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EPA CompTox

DTXSID9060994

Created by admin on Sat Dec 16 11:48:43 GMT 2023 , Edited by admin on Sat Dec 16 11:48:43 GMT 2023

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ECHA (EC/EINECS)

211-698-3

Created by admin on Sat Dec 16 11:48:43 GMT 2023 , Edited by admin on Sat Dec 16 11:48:43 GMT 2023

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PUBCHEM

69641

Created by admin on Sat Dec 16 11:48:43 GMT 2023 , Edited by admin on Sat Dec 16 11:48:43 GMT 2023

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