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

Details

Stereochemistry RACEMIC
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyloctan-4-olide, cis-

SMILES

CCCC[C@H]1C[C@@H](C)C(=O)O1

InChI

InChIKey=DYCIOBMGECOFOG-SFYZADRCSA-N
InChI=1S/C9H16O2/c1-3-4-5-8-6-7(2)9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-Methyloctan-4-olide, cis-
Common Name English
2(3H)-Furanone, 5-butyldihydro-3-methyl-, (3R,5S)-rel-
Common Name English
FEMA NO. 5004, cis-
Code English
2(3H)-Furanone, 5-butyldihydro-3-methyl-, cis-
Common Name English
rel-(3R,5S)-5-Butyldihydro-3-methyl-2(3H)-furanone
Common Name English
Code System Code Type Description
PUBCHEM
13347927
Created by admin on Sat Dec 16 19:33:33 GMT 2023 , Edited by admin on Sat Dec 16 19:33:33 GMT 2023
PRIMARY
CAS
94319-38-7
Created by admin on Sat Dec 16 19:33:33 GMT 2023 , Edited by admin on Sat Dec 16 19:33:33 GMT 2023
PRIMARY
FDA UNII
S5RS4JG75V
Created by admin on Sat Dec 16 19:33:33 GMT 2023 , Edited by admin on Sat Dec 16 19:33:33 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966