pentadec-1-ene

C15H30 — CID 25913

IUPACpentadec-1-ene
SMILESC=CCCCCCCCCCCCCC
InChIInChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
InChIKeyPJLHTVIBELQURV-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.87
Rot. Bonds12

About pentadec-1-ene

pentadec-1-ene (PubChem CID 25913) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is pentadec-1-ene.

Molecular Properties

Compound Namepentadec-1-ene
PubChem CID25913
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Namepentadec-1-ene
SMILESC=CCCCCCCCCCCCCC
InChIInChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
InChIKeyPJLHTVIBELQURV-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentadec-1-ene?
The IUPAC name of pentadec-1-ene (CID 25913) is pentadec-1-ene.
What is the SMILES notation for pentadec-1-ene?
The canonical SMILES for pentadec-1-ene is C=CCCCCCCCCCCCCC.
What is the InChIKey of pentadec-1-ene?
The InChIKey is PJLHTVIBELQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3.
What are the key properties of pentadec-1-ene?
pentadec-1-ene has a molecular weight of 210.40 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-1-ene is sourced from PubChem (CID 25913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).