2-methylprop-1-ene

C20H40 — CID 157265854

IUPAC2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C.C=C(C)C.C=C(C)C.C=C(C)C
InChIInChI=1S/5C4H8/c5*1-4(2)3/h5*1H2,2-3H3
InChIKeyAXZHBXVLSGRCNH-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.91
Rot. Bonds

About 2-methylprop-1-ene

2-methylprop-1-ene (PubChem CID 157265854) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 2-methylprop-1-ene.

Molecular Properties

Compound Name2-methylprop-1-ene
PubChem CID157265854
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C.C=C(C)C.C=C(C)C.C=C(C)C
InChIInChI=1S/5C4H8/c5*1-4(2)3/h5*1H2,2-3H3
InChIKeyAXZHBXVLSGRCNH-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylprop-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 2-methylprop-1-ene?
The IUPAC name of 2-methylprop-1-ene (CID 157265854) is 2-methylprop-1-ene.
What is the SMILES notation for 2-methylprop-1-ene?
The canonical SMILES for 2-methylprop-1-ene is C=C(C)C.C=C(C)C.C=C(C)C.C=C(C)C.C=C(C)C.
What is the InChIKey of 2-methylprop-1-ene?
The InChIKey is AXZHBXVLSGRCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H8/c5*1-4(2)3/h5*1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene?
2-methylprop-1-ene has a molecular weight of 280.54 g/mol, XLogP of 7.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene is sourced from PubChem (CID 157265854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).