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Details

Stereochemistry RACEMIC
Molecular Formula C17H32O3
Molecular Weight 284.4342
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-((1R)-1-((1S)-3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-PROPYL) PROPANOATE, (±)-

SMILES

CCC(=O)OCC(C)(C)O[C@@H](C)[C@@H]1CCCC(C)(C)C1

InChI

InChIKey=LSTSBZKIQFOPHA-UONOGXRCSA-N
InChI=1S/C17H32O3/c1-7-15(18)19-12-17(5,6)20-13(2)14-9-8-10-16(3,4)11-14/h13-14H,7-12H2,1-6H3/t13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H32O3
Molecular Weight 284.4342
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:14:50 GMT 2025
Edited
by admin
on Mon Mar 31 21:14:50 GMT 2025
Record UNII
4U76J7Z2FH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-((1R)-1-((1S)-3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-PROPYL) PROPANOATE, (±)-
Systematic Name English
1-PROPANOL, 2-((1R)-1-((1S)-3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-, 1-PROPANOATE, REL-
Preferred Name English
1-PROPANOL, 2-(1-(3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-, PROPANOATE, (R*,S*)-(±)-
Common Name English
1-PROPANOL, 2-(1-(3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-, PROPANOATE, (R*,S*)-
Common Name English
Code System Code Type Description
PUBCHEM
18649070
Created by admin on Mon Mar 31 21:14:50 GMT 2025 , Edited by admin on Mon Mar 31 21:14:50 GMT 2025
PRIMARY
FDA UNII
4U76J7Z2FH
Created by admin on Mon Mar 31 21:14:50 GMT 2025 , Edited by admin on Mon Mar 31 21:14:50 GMT 2025
PRIMARY
CAS
141899-02-7
Created by admin on Mon Mar 31 21:14:50 GMT 2025 , Edited by admin on Mon Mar 31 21:14:50 GMT 2025
PRIMARY