pentadeca-1,3,5,7,9,11,13-heptaene

C15H18 — CID 73461452

IUPACpentadeca-1,3,5,7,9,11,13-heptaene
SMILESC=CC=CC=CC=CC=CC=CC=CC
InChIInChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H,1H2,2H3
InChIKeyCETJIWVTDUCJAH-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds6

About pentadeca-1,3,5,7,9,11,13-heptaene

pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 73461452) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Namepentadeca-1,3,5,7,9,11,13-heptaene
PubChem CID73461452
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Namepentadeca-1,3,5,7,9,11,13-heptaene
SMILESC=CC=CC=CC=CC=CC=CC=CC
InChIInChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H,1H2,2H3
InChIKeyCETJIWVTDUCJAH-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentadeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of pentadeca-1,3,5,7,9,11,13-heptaene (CID 73461452) is pentadeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for pentadeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for pentadeca-1,3,5,7,9,11,13-heptaene is C=CC=CC=CC=CC=CC=CC=CC.
What is the InChIKey of pentadeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is CETJIWVTDUCJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H,1H2,2H3.
What are the key properties of pentadeca-1,3,5,7,9,11,13-heptaene?
pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 73461452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).