2-methylpent-1-ene

C6H12 — CID 12986

IUPAC2-methylpent-1-ene
SMILESC=C(C)CCC
InChIInChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3
InChIKeyWWUVJRULCWHUSA-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds2

About 2-methylpent-1-ene

2-methylpent-1-ene (PubChem CID 12986) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 2-methylpent-1-ene.

Molecular Properties

Compound Name2-methylpent-1-ene
PubChem CID12986
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name2-methylpent-1-ene
SMILESC=C(C)CCC
InChIInChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3
InChIKeyWWUVJRULCWHUSA-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-butene
CID 11240
2,5-Dimethyl-1,5-hexadiene
CID 12322
2-Methyl-1-hexene
CID 22468
2-Ethyl-1-butene
CID 12970
2,3-Dimethyl-1,3-butadiene
CID 10566
Cyclopentane, methylene-
CID 73714
2-Methyl-1,4-pentadiene
CID 12987
2,3-Dimethylpent-1-ene
CID 18851
2,4-Dimethylpent-1-ene
CID 16657
2-Methyl-1,5-hexadiene
CID 19965
2,4-Dimethyl-1,4-pentadiene
CID 138137
3-Methylidenehexane
CID 520668

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-1-ene?
The IUPAC name of 2-methylpent-1-ene (CID 12986) is 2-methylpent-1-ene.
What is the SMILES notation for 2-methylpent-1-ene?
The canonical SMILES for 2-methylpent-1-ene is C=C(C)CCC.
What is the InChIKey of 2-methylpent-1-ene?
The InChIKey is WWUVJRULCWHUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of 2-methylpent-1-ene?
2-methylpent-1-ene has a molecular weight of 84.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-1-ene is sourced from PubChem (CID 12986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).