2-methylprop-1-ene

C12H24 — CID 6455714

IUPAC2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C.C=C(C)C
InChIInChI=1S/3C4H8/c3*1-4(2)3/h3*1H2,2-3H3
InChIKeyZGWNHIRGFLHURN-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.75
Rot. Bonds

About 2-methylprop-1-ene

2-methylprop-1-ene (PubChem CID 6455714) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2-methylprop-1-ene.

Molecular Properties

Compound Name2-methylprop-1-ene
PubChem CID6455714
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C.C=C(C)C
InChIInChI=1S/3C4H8/c3*1-4(2)3/h3*1H2,2-3H3
InChIKeyZGWNHIRGFLHURN-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene?
The IUPAC name of 2-methylprop-1-ene (CID 6455714) 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.
What is the InChIKey of 2-methylprop-1-ene?
The InChIKey is ZGWNHIRGFLHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H8/c3*1-4(2)3/h3*1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene?
2-methylprop-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.75, 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 6455714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).