(2R,6R)-2-ethenyl-6-pent-4-enyloxane

C₁₂H₂₀O — CID 102357880

About (2R,6R)-2-ethenyl-6-pent-4-enyloxane

(2R,6R)-2-ethenyl-6-pent-4-enyloxane (PubChem CID 102357880) has the molecular formula C₁₂H₂₀O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R,6R)-2-ethenyl-6-pent-4-enyloxane.

Molecular Properties

• Compound Name: (2R,6R)-2-ethenyl-6-pent-4-enyloxane
• PubChem CID: 102357880
• Molecular Formula: C₁₂H₂₀O
• Molecular Weight: 180.29 g/mol
• Exact Mass: 180.15
• IUPAC Name: (2R,6R)-2-ethenyl-6-pent-4-enyloxane
• SMILES: C=CCCC[C@@H]1CCC[C@H](C=C)O1
• InChI: InChI=1S/C12H20O/c1-3-5-6-8-12-10-7-9-11(4-2)13-12/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1
• InChIKey: WVWFOOUELVGLAU-NWDGAFQWSA-N
• XLogP: 3.47
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.29
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-ethenyl-6-pent-4-enyloxane?

The IUPAC name of (2R,6R)-2-ethenyl-6-pent-4-enyloxane (CID 102357880) is (2R,6R)-2-ethenyl-6-pent-4-enyloxane.

What is the SMILES notation for (2R,6R)-2-ethenyl-6-pent-4-enyloxane?

The canonical SMILES for (2R,6R)-2-ethenyl-6-pent-4-enyloxane is C=CCCC[C@@H]1CCC[C@H](C=C)O1.

What is the InChIKey of (2R,6R)-2-ethenyl-6-pent-4-enyloxane?

The InChIKey is WVWFOOUELVGLAU-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-6-8-12-10-7-9-11(4-2)13-12/h3-4,11-12H,1-2,5-10H2/t11-,12+/m0/s1.

What are the key properties of (2R,6R)-2-ethenyl-6-pent-4-enyloxane?

(2R,6R)-2-ethenyl-6-pent-4-enyloxane has a molecular weight of 180.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R)-2-ethenyl-6-pent-4-enyloxane is sourced from PubChem (CID 102357880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102357880 — identifiers, structure, computed properties (public domain)

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