3,4,5,6-TETRAMETHYL-1-BENZOCYCLOBUTANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O
Molecular Weight	174.239
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4,5,6-TETRAMETHYL-1-BENZOCYCLOBUTANONE

Structure Search

SMILES

CC1=C2CC(=O)C2=C(C)C(C)=C1C

InChI

InChIKey=LEISDCHDKZDVAE-UHFFFAOYSA-N

InChI=1S/C12H14O/c1-6-7(2)9(4)12-10(8(6)3)5-11(12)13/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H14O
Molecular Weight	174.239
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 `Tue Apr 01 19:42:14 GMT 2025` Edited by `admin` on `Tue Apr 01 19:42:14 GMT 2025`
Record UNII	5T7015IN0G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4,5,6-TETRAMETHYL-1-BENZOCYCLOBUTANONE

Systematic Name

English

NSC-98370

Preferred Name

English

BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-ONE, 2,3,4,5-TETRAMETHYL-

Systematic Name

English

2,3,4,5-TETRAMETHYLBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

5T7015IN0G

Created by admin on Tue Apr 01 19:42:14 GMT 2025 , Edited by admin on Tue Apr 01 19:42:14 GMT 2025

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NSC

98370

Created by admin on Tue Apr 01 19:42:14 GMT 2025 , Edited by admin on Tue Apr 01 19:42:14 GMT 2025

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CAS

6590-36-9

Created by admin on Tue Apr 01 19:42:14 GMT 2025 , Edited by admin on Tue Apr 01 19:42:14 GMT 2025

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EPA CompTox

DTXSID70216111

Created by admin on Tue Apr 01 19:42:14 GMT 2025 , Edited by admin on Tue Apr 01 19:42:14 GMT 2025

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PUBCHEM

263709

Created by admin on Tue Apr 01 19:42:14 GMT 2025 , Edited by admin on Tue Apr 01 19:42:14 GMT 2025

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