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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O4
Molecular Weight 202.2475
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl (3S)-3-(2-methylpropyl)pentanedioate

SMILES

COC(=O)C[C@@H](CC(C)C)CC(O)=O

InChI

InChIKey=NRXIYKWMCOQUTK-QMMMGPOBSA-N
InChI=1S/C10H18O4/c1-7(2)4-8(5-9(11)12)6-10(13)14-3/h7-8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-Methyl (3S)-3-(2-methylpropyl)pentanedioate
Systematic Name English
(3S)-3-(2-Methoxy-2-oxoethyl)-5-methylhexanoic acid
Systematic Name English
Pentanedioic acid, 3-(2-methylpropyl)-, 1-methyl ester, (3S)-
Systematic Name English
Pentanedioic acid, 3-(2-methylpropyl)-, monomethyl ester, (S)-
Common Name English
3-(2-Methoxy-2-oxoethyl)-5-methylhexanoic acid, (3S)-
Common Name English
Code System Code Type Description
FDA UNII
TWB6D367RQ
Created by admin on Sat Dec 16 18:42:17 GMT 2023 , Edited by admin on Sat Dec 16 18:42:17 GMT 2023
PRIMARY
PUBCHEM
71697547
Created by admin on Sat Dec 16 18:42:17 GMT 2023 , Edited by admin on Sat Dec 16 18:42:17 GMT 2023
PRIMARY
CAS
181289-25-8
Created by admin on Sat Dec 16 18:42:17 GMT 2023 , Edited by admin on Sat Dec 16 18:42:17 GMT 2023
PRIMARY
NIH
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