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

Details

Stereochemistry RACEMIC
Molecular Formula C14H20O
Molecular Weight 204.308
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BORNELONE, (3E,5Z)-

SMILES

CC(=O)\C=C\C=C1\[C@H]2CC[C@H](C2)C1(C)C

InChI

InChIKey=WDMFHQNUSVLQMS-FSZGTJMISA-N
InChI=1S/C14H20O/c1-10(15)5-4-6-13-11-7-8-12(9-11)14(13,2)3/h4-6,11-12H,7-9H2,1-3H3/b5-4+,13-6-/t11-,12+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BORNELONE, (3E,5Z)-
Common Name English
3-PENTEN-2-ONE, 5-(3,3-DIMETHYLBICYCLO(2.2.1)HEPT-2-YLIDENE)-, (E,Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76972188
Created by admin on Sat Dec 16 14:16:52 GMT 2023 , Edited by admin on Sat Dec 16 14:16:52 GMT 2023
PRIMARY
FDA UNII
0QRL1KC2GH
Created by admin on Sat Dec 16 14:16:52 GMT 2023 , Edited by admin on Sat Dec 16 14:16:52 GMT 2023
PRIMARY
CAS
58404-78-7
Created by admin on Sat Dec 16 14:16:52 GMT 2023 , Edited by admin on Sat Dec 16 14:16:52 GMT 2023
PRIMARY