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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H28O2
Molecular Weight 252.3923
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-6-ISOPROPENYL-9-DECEN-1-YL ACETATE, (3S,6S)-

SMILES

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

InChI

InChIKey=UJJKWQRTTYLTQL-HOCLYGCPSA-N
InChI=1S/C16H28O2/c1-6-7-8-16(13(2)3)10-9-14(4)11-12-18-15(5)17/h6,14,16H,1-2,7-12H2,3-5H3/t14-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H28O2
Molecular Weight 252.3923
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:18:45 GMT 2023
Edited
by admin
on Sat Dec 16 08:18:45 GMT 2023
Record UNII
NI0HGB718T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-6-ISOPROPENYL-9-DECEN-1-YL ACETATE, (3S,6S)-
Systematic Name English
9-DECEN-1-OL, 3-METHYL-6-(1-METHYLETHENYL)-, ACETATE, (S-(R*,R*))-
Systematic Name English
9-DECEN-1-OL, 3-METHYL-6-(1-METHYLETHENYL)- ACETATE, (3S,6S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76968782
Created by admin on Sat Dec 16 08:18:45 GMT 2023 , Edited by admin on Sat Dec 16 08:18:45 GMT 2023
PRIMARY
FDA UNII
NI0HGB718T
Created by admin on Sat Dec 16 08:18:45 GMT 2023 , Edited by admin on Sat Dec 16 08:18:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID0035792
Created by admin on Sat Dec 16 08:18:45 GMT 2023 , Edited by admin on Sat Dec 16 08:18:45 GMT 2023
PRIMARY
CAS
67601-10-9
Created by admin on Sat Dec 16 08:18:45 GMT 2023 , Edited by admin on Sat Dec 16 08:18:45 GMT 2023
PRIMARY