4-METHYL-1-PENTYN-3-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H8O
Molecular Weight	96.1271
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYL-1-PENTYN-3-ONE

Structure Search

SMILES

CC(C)C(=O)C#C

InChI

InChIKey=KLQCAVMGXXCQHN-UHFFFAOYSA-N

InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3

HIDE SMILES / InChI

Molecular Formula	C6H8O
Molecular Weight	96.1271
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 `Wed Apr 02 14:12:21 GMT 2025` Edited by `admin` on `Wed Apr 02 14:12:21 GMT 2025`
Record UNII	Z8DQ99H49M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYL-1-PENTYN-3-ONE

Systematic Name

English

NSC-96445

Preferred Name

English

1-PENTYN-3-ONE, 4-METHYL-

Systematic Name

English

4-METHYLPENTYN-3-ONE

Systematic Name

English

ETHYNYL ISOPROPYL KETONE

Common Name

English

Code System Code Type Description

PUBCHEM

139488

Created by admin on Wed Apr 02 14:12:21 GMT 2025 , Edited by admin on Wed Apr 02 14:12:21 GMT 2025

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EPA CompTox

DTXSID40159309

Created by admin on Wed Apr 02 14:12:21 GMT 2025 , Edited by admin on Wed Apr 02 14:12:21 GMT 2025

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NSC

96445

Created by admin on Wed Apr 02 14:12:21 GMT 2025 , Edited by admin on Wed Apr 02 14:12:21 GMT 2025

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CAS

13531-82-3

Created by admin on Wed Apr 02 14:12:21 GMT 2025 , Edited by admin on Wed Apr 02 14:12:21 GMT 2025

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FDA UNII

Z8DQ99H49M

Created by admin on Wed Apr 02 14:12:21 GMT 2025 , Edited by admin on Wed Apr 02 14:12:21 GMT 2025

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