10-Decoxyicosane

C₃₀H₆₂O — CID 150196888

About 10-Decoxyicosane

10-Decoxyicosane (PubChem CID 150196888) has the molecular formula C₃₀H₆₂O and a molecular weight of 438.83 g/mol. Its IUPAC name is 10-decoxyicosane.

Molecular Properties

• Compound Name: 10-Decoxyicosane
• PubChem CID: 150196888
• Molecular Formula: C₃₀H₆₂O
• Molecular Weight: 438.83 g/mol
• Exact Mass: 438.48
• IUPAC Name: 10-decoxyicosane
• SMILES: CCCCCCCCCCOC(CCCCCCCCC)CCCCCCCCCC
• InChI: InChI=1S/C30H62O/c1-4-7-10-13-16-19-22-25-28-30(27-24-21-18-15-12-9-6-3)31-29-26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
• InChIKey: FOQCUXBSLBHBET-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 27
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.83
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-Decoxyicosane?

The IUPAC name of 10-Decoxyicosane (CID 150196888) is 10-decoxyicosane.

What is the SMILES notation for 10-Decoxyicosane?

The canonical SMILES for 10-Decoxyicosane is CCCCCCCCCCOC(CCCCCCCCC)CCCCCCCCCC.

What is the InChIKey of 10-Decoxyicosane?

The InChIKey is FOQCUXBSLBHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O/c1-4-7-10-13-16-19-22-25-28-30(27-24-21-18-15-12-9-6-3)31-29-26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3.

What are the key properties of 10-Decoxyicosane?

10-Decoxyicosane has a molecular weight of 438.83 g/mol, XLogP of 11.18, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-Decoxyicosane is sourced from PubChem (CID 150196888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150196888 — identifiers, structure, computed properties (public domain)

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