Hex-3-en-2-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10O
Molecular Weight	98.143
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Hex-3-en-2-one

Structure Search

SMILES

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

InChI

InChIKey=LPCWMYHBLXLJJQ-SNAWJCMRSA-N

InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3/b5-4+

HIDE SMILES / InChI

Molecular Formula	C6H10O
Molecular Weight	98.143
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 19:02:12 GMT 2025` Edited by `admin` on `Mon Mar 31 19:02:12 GMT 2025`
Record UNII	5A3B3N6UGZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(E)-hex-3-en-2-one

Preferred Name

English

Hex-3-en-2-one

Systematic Name

English

3-Hexen-2-one

Systematic Name

English

1-Butenyl methyl ketone

Systematic Name

English

(3E)-3-Hexen-2-one

Systematic Name

English

trans-3-Hexen-2-one

Systematic Name

English

Methyl 1-butenyl ketone

Systematic Name

English

3-Hexen-2-one, (3E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

5A3B3N6UGZ

Created by admin on Mon Mar 31 19:02:12 GMT 2025 , Edited by admin on Mon Mar 31 19:02:12 GMT 2025

PRIMARY

PUBCHEM

5367744

Created by admin on Mon Mar 31 19:02:12 GMT 2025 , Edited by admin on Mon Mar 31 19:02:12 GMT 2025

PRIMARY

CAS

4376-23-2

Created by admin on Mon Mar 31 19:02:12 GMT 2025 , Edited by admin on Mon Mar 31 19:02:12 GMT 2025

PRIMARY

CAS

763-93-9

Created by admin on Mon Mar 31 19:02:12 GMT 2025 , Edited by admin on Mon Mar 31 19:02:12 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID801015852

Created by admin on Mon Mar 31 19:02:12 GMT 2025 , Edited by admin on Mon Mar 31 19:02:12 GMT 2025

PRIMARY