Butan-2-ol;but-2-ene

C₈H₁₈O — CID 157060914

About Butan-2-ol;but-2-ene

Butan-2-ol;but-2-ene (PubChem CID 157060914) has the molecular formula C₈H₁₈O and a molecular weight of 130.23 g/mol. Its IUPAC name is butan-2-ol;but-2-ene.

Molecular Properties

• Compound Name: Butan-2-ol;but-2-ene
• PubChem CID: 157060914
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23 g/mol
• Exact Mass: 130.14
• IUPAC Name: butan-2-ol;but-2-ene
• SMILES: CC=CC.CCC(C)O
• InChI: InChI=1S/C4H10O.C4H8/c1-3-4(2)5;1-3-4-2/h4-5H,3H2,1-2H3;3-4H,1-2H3
• InChIKey: ABIAHOHSSUREQM-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	130.23
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Butan-2-ol;but-2-ene?

The IUPAC name of Butan-2-ol;but-2-ene (CID 157060914) is butan-2-ol;but-2-ene.

What is the SMILES notation for Butan-2-ol;but-2-ene?

The canonical SMILES for Butan-2-ol;but-2-ene is CC=CC.CCC(C)O.

What is the InChIKey of Butan-2-ol;but-2-ene?

The InChIKey is ABIAHOHSSUREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H8/c1-3-4(2)5;1-3-4-2/h4-5H,3H2,1-2H3;3-4H,1-2H3.

What are the key properties of Butan-2-ol;but-2-ene?

Butan-2-ol;but-2-ene has a molecular weight of 130.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Butan-2-ol;but-2-ene is sourced from PubChem (CID 157060914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157060914 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.