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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H16
Molecular Weight 136.234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-OCIMENE, (3Z)-

SMILES

CC(=C)CC\C=C(\C)C=C

InChI

InChIKey=XJPBRODHZKDRCB-NTMALXAHSA-N
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8-

HIDE SMILES / InChI

Molecular Formula C10H16
Molecular Weight 136.234
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:08:27 GMT 2023
Edited
by admin
on Fri Dec 15 18:08:27 GMT 2023
Record UNII
LTP9229T5N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-OCIMENE, (3Z)-
Common Name English
1,3,7-OCTATRIENE, 3,7-DIMETHYL-, (3Z)-
Systematic Name English
3,7-DIMETHYL-1,3Z,7-OCTATRIENE
Common Name English
Z-3,7-DIMETHYL-1,3,7-OCTATRIENE
Systematic Name English
(Z)-.ALPHA.-OCIMENE
Systematic Name English
OCIMENE, CIS-.ALPHA.-
Common Name English
OCIMENE, CIS-ALPHA-
Common Name English
OCIMENE CIS-.ALPHA.-FORM [MI]
Common Name English
OCIMENE CIS-.ALPHA.-FORM
MI  
Common Name English
CIS-.ALPHA.-OCIMENE
Common Name English
Code System Code Type Description
CAS
502-99-8
Created by admin on Fri Dec 15 18:08:27 GMT 2023 , Edited by admin on Fri Dec 15 18:08:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
DAILYMED
LTP9229T5N
Created by admin on Fri Dec 15 18:08:27 GMT 2023 , Edited by admin on Fri Dec 15 18:08:27 GMT 2023
PRIMARY
PUBCHEM
5463455
Created by admin on Fri Dec 15 18:08:27 GMT 2023 , Edited by admin on Fri Dec 15 18:08:27 GMT 2023
PRIMARY
FDA UNII
LTP9229T5N
Created by admin on Fri Dec 15 18:08:27 GMT 2023 , Edited by admin on Fri Dec 15 18:08:27 GMT 2023
PRIMARY
CAS
6874-44-8
Created by admin on Fri Dec 15 18:08:27 GMT 2023 , Edited by admin on Fri Dec 15 18:08:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID701317502
Created by admin on Fri Dec 15 18:08:27 GMT 2023 , Edited by admin on Fri Dec 15 18:08:27 GMT 2023
PRIMARY
MERCK INDEX
m8100
Created by admin on Fri Dec 15 18:08:27 GMT 2023 , Edited by admin on Fri Dec 15 18:08:27 GMT 2023
PRIMARY Merck Index