(8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene

C15H22 — CID 173137684

IUPAC(8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene
SMILESCCC=C=CCC/C=C/C=C/C=C/CC
InChIInChI=1S/C15H22/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5-7,9-11,13,15H,3-4,12,14H2,1-2H3/b7-5+,11-9+,15-13+
InChIKeySOHGJMSKYNNSIK-LIDDAOQYSA-N
MW202.34 g/mol
LogP4.97
Rot. Bonds7

About (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene

(8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene (PubChem CID 173137684) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene.

Molecular Properties

Compound Name(8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene
PubChem CID173137684
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene
SMILESCCC=C=CCC/C=C/C=C/C=C/CC
InChIInChI=1S/C15H22/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5-7,9-11,13,15H,3-4,12,14H2,1-2H3/b7-5+,11-9+,15-13+
InChIKeySOHGJMSKYNNSIK-LIDDAOQYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
octadeca-3,4,11,15-tetraene
CID 174642630
(5E)-octa-3,5-diene
CID 173104147
pentadeca-3,5,7,12-tetraene
CID 142697862
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
pentadeca-3,5,7,9-tetraene
CID 151958393
(3E,5E)-octa-3,5-dien-1-amine
CID 55254846
(3E,5Z,9Z)-pentadeca-3,5,9-triene
CID 90384035
nona-5,6-dien-1-yne
CID 123395060
dodeca-3,4-diene
CID 91492112
octa-4,5-dien-1-ol
CID 14002940
octa-4,5-dien-1-amine
CID 55284757

Frequently Asked Questions

What is the IUPAC name of (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene?
The IUPAC name of (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene (CID 173137684) is (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene.
What is the SMILES notation for (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene?
The canonical SMILES for (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene is CCC=C=CCC/C=C/C=C/C=C/CC.
What is the InChIKey of (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene?
The InChIKey is SOHGJMSKYNNSIK-LIDDAOQYSA-N. The full InChI is InChI=1S/C15H22/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5-7,9-11,13,15H,3-4,12,14H2,1-2H3/b7-5+,11-9+,15-13+.
What are the key properties of (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene?
(8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene has a molecular weight of 202.34 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene is sourced from PubChem (CID 173137684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).