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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,5E)-

SMILES

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

InChI

InChIKey=WDMFHQNUSVLQMS-UAWWFITHSA-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+

HIDE SMILES / InChI

Molecular Formula C14H20O
Molecular Weight 204.308
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:43:48 GMT 2023
Edited
by admin
on Sat Dec 16 14:43:48 GMT 2023
Record UNII
HM6K062J9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BORNELONE, (3E,5E)-
Common Name English
3-PENTEN-2-ONE, 5-(3,3-DIMETHYLBICYCLO(2.2.1)HEPT-2-YLIDENE)-, (E,E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6537214
Created by admin on Sat Dec 16 14:43:48 GMT 2023 , Edited by admin on Sat Dec 16 14:43:48 GMT 2023
PRIMARY
FDA UNII
HM6K062J9T
Created by admin on Sat Dec 16 14:43:48 GMT 2023 , Edited by admin on Sat Dec 16 14:43:48 GMT 2023
PRIMARY
CAS
58404-76-5
Created by admin on Sat Dec 16 14:43:48 GMT 2023 , Edited by admin on Sat Dec 16 14:43:48 GMT 2023
PRIMARY