U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O2
Molecular Weight 194.2701
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-(ISOPENTYLOXY)ANISOLE

SMILES

COC1=CC=CC=C1OCCC(C)C

InChI

InChIKey=XKBYPOKPAZUNSO-UHFFFAOYSA-N
InChI=1S/C12H18O2/c1-10(2)8-9-14-12-7-5-4-6-11(12)13-3/h4-7,10H,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H18O2
Molecular Weight 194.2701
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 Sat Dec 16 11:55:09 GMT 2023
Edited
by admin
on Sat Dec 16 11:55:09 GMT 2023
Record UNII
8T38VD22J7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-(ISOPENTYLOXY)ANISOLE
Systematic Name English
BENZENE, 1-METHOXY-2-(3-METHYLBUTOXY)-
Systematic Name English
1-METHOXY-2-(3-METHYLBUTOXY)BENZENE
Systematic Name English
Code System Code Type Description
FDA UNII
8T38VD22J7
Created by admin on Sat Dec 16 11:55:09 GMT 2023 , Edited by admin on Sat Dec 16 11:55:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID80241393
Created by admin on Sat Dec 16 11:55:09 GMT 2023 , Edited by admin on Sat Dec 16 11:55:09 GMT 2023
PRIMARY
PUBCHEM
3024272
Created by admin on Sat Dec 16 11:55:09 GMT 2023 , Edited by admin on Sat Dec 16 11:55:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
304-873-1
Created by admin on Sat Dec 16 11:55:09 GMT 2023 , Edited by admin on Sat Dec 16 11:55:09 GMT 2023
PRIMARY
CHEMBL
2252456
Created by admin on Sat Dec 16 11:55:09 GMT 2023 , Edited by admin on Sat Dec 16 11:55:09 GMT 2023
PRIMARY
CAS
94291-49-3
Created by admin on Sat Dec 16 11:55:09 GMT 2023 , Edited by admin on Sat Dec 16 11:55:09 GMT 2023
PRIMARY