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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H32O2
Molecular Weight 268.4348
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (4R)-4-methylhexanoate

SMILES

CC[C@@H](C)CCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C

InChI

InChIKey=VREDUFONAPTKJU-LVQVYYBASA-N
InChI=1S/C17H32O2/c1-6-13(4)8-10-17(18)19-16-11-14(5)7-9-15(16)12(2)3/h12-16H,6-11H2,1-5H3/t13-,14-,15+,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Hexanoic acid, 4-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1?(R*),2?,5?]]-
Preferred Name English
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (4R)-4-methylhexanoate
Systematic Name English
Hexanoic acid, 4-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (4R)-
Systematic Name English
Code System Code Type Description
CAS
68050-68-0
Created by admin on Mon Mar 31 18:49:37 GMT 2025 , Edited by admin on Mon Mar 31 18:49:37 GMT 2025
PRIMARY
FDA UNII
Z9C7B4K6VR
Created by admin on Mon Mar 31 18:49:37 GMT 2025 , Edited by admin on Mon Mar 31 18:49:37 GMT 2025
PRIMARY
NIH
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