2-(1-ethenoxypentan-3-yl)oxirane

C₉H₁₆O₂ — CID 151132472

About 2-(1-ethenoxypentan-3-yl)oxirane

2-(1-ethenoxypentan-3-yl)oxirane (PubChem CID 151132472) has the molecular formula C₉H₁₆O₂ and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-ethenoxypentan-3-yl)oxirane.

Molecular Properties

• Compound Name: 2-(1-ethenoxypentan-3-yl)oxirane
• PubChem CID: 151132472
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.22 g/mol
• Exact Mass: 156.12
• IUPAC Name: 2-(1-ethenoxypentan-3-yl)oxirane
• SMILES: C=COCCC(CC)C1CO1
• InChI: InChI=1S/C9H16O2/c1-3-8(9-7-11-9)5-6-10-4-2/h4,8-9H,2-3,5-7H2,1H3
• InChIKey: MUNAJWKBGMUCJG-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	156.22
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxypentan-3-yl)oxirane?

The IUPAC name of 2-(1-ethenoxypentan-3-yl)oxirane (CID 151132472) is 2-(1-ethenoxypentan-3-yl)oxirane.

What is the SMILES notation for 2-(1-ethenoxypentan-3-yl)oxirane?

The canonical SMILES for 2-(1-ethenoxypentan-3-yl)oxirane is C=COCCC(CC)C1CO1.

What is the InChIKey of 2-(1-ethenoxypentan-3-yl)oxirane?

The InChIKey is MUNAJWKBGMUCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8(9-7-11-9)5-6-10-4-2/h4,8-9H,2-3,5-7H2,1H3.

What are the key properties of 2-(1-ethenoxypentan-3-yl)oxirane?

2-(1-ethenoxypentan-3-yl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-ethenoxypentan-3-yl)oxirane is sourced from PubChem (CID 151132472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151132472 — identifiers, structure, computed properties (public domain)

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