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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O2
Molecular Weight 194.2701
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 8-OCIMENYL ACETATE, (3Z,6E)-

SMILES

CC(=O)OC\C(C)=C\C\C=C(\C)C=C

InChI

InChIKey=RNKUOBQYBVPNSU-BDLVGCLISA-N
InChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,7-8H,1,6,9H2,2-4H3/b10-7-,11-8+

HIDE SMILES / InChI

Molecular Formula C12H18O2
Molecular Weight 194.2701
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:28:06 GMT 2023
Edited
by admin
on Fri Dec 15 21:28:06 GMT 2023
Record UNII
C4QPK0FX2T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-OCIMENYL ACETATE, (3Z,6E)-
Common Name English
FEMA NO. 3886, (3Z,6E)-
Code English
(3Z,6E)-8-OCIMENYL ACETATE
Common Name English
2,5,7-OCTATRIEN-1-OL, 2,6-DIMETHYL-, ACETATE, (2E,5Z)-
Systematic Name English
2,5,7-OCTATRIEN-1-OL, 2,6-DIMETHYL-, 1-ACETATE, (2E,5Z)-
Common Name English
Code System Code Type Description
FDA UNII
C4QPK0FX2T
Created by admin on Fri Dec 15 21:28:06 GMT 2023 , Edited by admin on Fri Dec 15 21:28:06 GMT 2023
PRIMARY
PUBCHEM
21967387
Created by admin on Fri Dec 15 21:28:06 GMT 2023 , Edited by admin on Fri Dec 15 21:28:06 GMT 2023
PRIMARY
CAS
223705-77-9
Created by admin on Fri Dec 15 21:28:06 GMT 2023 , Edited by admin on Fri Dec 15 21:28:06 GMT 2023
PRIMARY