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

Details

Stereochemistry MIXED
Molecular Formula C14H28O
Molecular Weight 212.3715
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.,.BETA.,2,2,6-PENTAMETHYLCYCLOHEXANEPROPANOL

SMILES

CC(O)C(C)CC1C(C)CCCC1(C)C

InChI

InChIKey=HMENPFAAAQWASO-UHFFFAOYSA-N
InChI=1S/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H28O
Molecular Weight 212.3715
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:16 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:16 GMT 2023
Record UNII
W5L6ZT39B7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.,.BETA.,2,2,6-PENTAMETHYLCYCLOHEXANEPROPANOL
Systematic Name English
CYCLOHEXANEPROPANOL, .ALPHA.,.BETA.,2,2,6-PENTAMETHYL-
Systematic Name English
VIOLET PROPANOL
Common Name English
TIMBRANOL
Brand Name English
Code System Code Type Description
FDA UNII
W5L6ZT39B7
Created by admin on Sat Dec 16 18:37:16 GMT 2023 , Edited by admin on Sat Dec 16 18:37:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-117-5
Created by admin on Sat Dec 16 18:37:16 GMT 2023 , Edited by admin on Sat Dec 16 18:37:16 GMT 2023
PRIMARY
CAS
60241-53-4
Created by admin on Sat Dec 16 18:37:16 GMT 2023 , Edited by admin on Sat Dec 16 18:37:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID90866798
Created by admin on Sat Dec 16 18:37:16 GMT 2023 , Edited by admin on Sat Dec 16 18:37:16 GMT 2023
PRIMARY
PUBCHEM
108425
Created by admin on Sat Dec 16 18:37:16 GMT 2023 , Edited by admin on Sat Dec 16 18:37:16 GMT 2023
PRIMARY