3-methylpent-2-ene

C6H12 — CID 12014

IUPAC3-methylpent-2-ene
SMILESCC=C(C)CC
InChIInChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3
InChIKeyBEQGRRJLJLVQAQ-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds1

About 3-methylpent-2-ene

3-methylpent-2-ene (PubChem CID 12014) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 3-methylpent-2-ene.

Molecular Properties

Compound Name3-methylpent-2-ene
PubChem CID12014
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name3-methylpent-2-ene
SMILESCC=C(C)CC
InChIInChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3
InChIKeyBEQGRRJLJLVQAQ-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 3-methylpent-2-ene?
The IUPAC name of 3-methylpent-2-ene (CID 12014) is 3-methylpent-2-ene.
What is the SMILES notation for 3-methylpent-2-ene?
The canonical SMILES for 3-methylpent-2-ene is CC=C(C)CC.
What is the InChIKey of 3-methylpent-2-ene?
The InChIKey is BEQGRRJLJLVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3.
What are the key properties of 3-methylpent-2-ene?
3-methylpent-2-ene has a molecular weight of 84.16 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-2-ene is sourced from PubChem (CID 12014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).