prop-1-ene

C24H48 — CID 162178440

IUPACprop-1-ene
SMILESC=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC
InChIInChI=1S/8C3H6/c8*1-3-2/h8*3H,1H2,2H3
InChIKeyZORXSYNWZUXQGX-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.54
Rot. Bonds

About prop-1-ene

prop-1-ene (PubChem CID 162178440) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is prop-1-ene.

Molecular Properties

Compound Nameprop-1-ene
PubChem CID162178440
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Nameprop-1-ene
SMILESC=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC
InChIInChI=1S/8C3H6/c8*1-3-2/h8*3H,1H2,2H3
InChIKeyZORXSYNWZUXQGX-UHFFFAOYSA-N
XLogP9.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze prop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-1-ene?
The IUPAC name of prop-1-ene (CID 162178440) is prop-1-ene.
What is the SMILES notation for prop-1-ene?
The canonical SMILES for prop-1-ene is C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.
What is the InChIKey of prop-1-ene?
The InChIKey is ZORXSYNWZUXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/8C3H6/c8*1-3-2/h8*3H,1H2,2H3.
What are the key properties of prop-1-ene?
prop-1-ene has a molecular weight of 336.65 g/mol, XLogP of 9.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene is sourced from PubChem (CID 162178440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).