3-methylpent-1-ene

C6H12 — CID 12969

IUPAC3-methylpent-1-ene
SMILESC=CC(C)CC
InChIInChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3
InChIKeyLDTAOIUHUHHCMU-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.22
Rot. Bonds2

About 3-methylpent-1-ene

3-methylpent-1-ene (PubChem CID 12969) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 3-methylpent-1-ene.

Molecular Properties

Compound Name3-methylpent-1-ene
PubChem CID12969
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name3-methylpent-1-ene
SMILESC=CC(C)CC
InChIInChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3
InChIKeyLDTAOIUHUHHCMU-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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 3-methylpent-1-ene?
The IUPAC name of 3-methylpent-1-ene (CID 12969) is 3-methylpent-1-ene.
What is the SMILES notation for 3-methylpent-1-ene?
The canonical SMILES for 3-methylpent-1-ene is C=CC(C)CC.
What is the InChIKey of 3-methylpent-1-ene?
The InChIKey is LDTAOIUHUHHCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3.
What are the key properties of 3-methylpent-1-ene?
3-methylpent-1-ene has a molecular weight of 84.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-1-ene is sourced from PubChem (CID 12969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).