1,1-DIMETHYL-2-PHENYLETHYL 3-METHYL-2-BUTENOATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H20O2
Molecular Weight	232.3181
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-DIMETHYL-2-PHENYLETHYL 3-METHYL-2-BUTENOATE

Structure Search

SMILES

CC(C)=CC(=O)OC(C)(C)CC1=CC=CC=C1

InChI

InChIKey=KHVDLHLSFANNEL-UHFFFAOYSA-N

InChI=1S/C15H20O2/c1-12(2)10-14(16)17-15(3,4)11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C15H20O2
Molecular Weight	232.3181
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 18:39:01 GMT 2025` Edited by `admin` on `Tue Apr 01 18:39:01 GMT 2025`
Record UNII	PHT2WYC5P1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,1-DIMETHYL-2-PHENYLETHYL 3-METHYL-2-BUTENOATE

Systematic Name

English

2-BUTENOIC ACID, 3-METHYL-, 1,1-DIMETHYL-2-PHENYLETHYL ESTER

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID30241000

Created by admin on Tue Apr 01 18:39:01 GMT 2025 , Edited by admin on Tue Apr 01 18:39:01 GMT 2025

PRIMARY

PUBCHEM

16206059

Created by admin on Tue Apr 01 18:39:01 GMT 2025 , Edited by admin on Tue Apr 01 18:39:01 GMT 2025

PRIMARY

FDA UNII

PHT2WYC5P1

Created by admin on Tue Apr 01 18:39:01 GMT 2025 , Edited by admin on Tue Apr 01 18:39:01 GMT 2025

PRIMARY

CAS

94201-15-7

Created by admin on Tue Apr 01 18:39:01 GMT 2025 , Edited by admin on Tue Apr 01 18:39:01 GMT 2025

PRIMARY

ECHA (EC/EINECS)

303-597-9

Created by admin on Tue Apr 01 18:39:01 GMT 2025 , Edited by admin on Tue Apr 01 18:39:01 GMT 2025

PRIMARY