5-OCTEN-4-ONE, 2,7-DIMETHYL-

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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 5-OCTEN-4-ONE, 2,7-DIMETHYL-

Structure Search

SMILES

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

InChI

InChIKey=CZOUKEVZSCNCAE-AATRIKPKSA-N

InChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+

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 `Mon Mar 31 22:38:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:38:04 GMT 2025`
Record UNII	5L2NZP42Y7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-29896

Preferred Name

English

5-OCTEN-4-ONE, 2,7-DIMETHYL-

Systematic Name

English

2,7-DIMETHYL-3-OCTEN-5-ONE

Systematic Name

English

2,7-DIMETHYL-5-OCTEN-4-ONE

Systematic Name

English

Code System Code Type Description

CAS

68419-46-5

Created by admin on Mon Mar 31 22:38:04 GMT 2025 , Edited by admin on Mon Mar 31 22:38:04 GMT 2025

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ECHA (EC/EINECS)

270-267-8

Created by admin on Mon Mar 31 22:38:04 GMT 2025 , Edited by admin on Mon Mar 31 22:38:04 GMT 2025

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EPA CompTox

DTXSID6071530

Created by admin on Mon Mar 31 22:38:04 GMT 2025 , Edited by admin on Mon Mar 31 22:38:04 GMT 2025

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FDA UNII

5L2NZP42Y7

Created by admin on Mon Mar 31 22:38:04 GMT 2025 , Edited by admin on Mon Mar 31 22:38:04 GMT 2025

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PUBCHEM

1738173

Created by admin on Mon Mar 31 22:38:04 GMT 2025 , Edited by admin on Mon Mar 31 22:38:04 GMT 2025

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NSC

29896

Created by admin on Mon Mar 31 22:38:04 GMT 2025 , Edited by admin on Mon Mar 31 22:38:04 GMT 2025

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