CID 157317157

C₁₆H₃₃BO — CID 157317157

About CID 157317157

CID 157317157 (PubChem CID 157317157) has the molecular formula C₁₆H₃₃BO and a molecular weight of 252.25 g/mol.

Molecular Properties

• Compound Name: CID 157317157
• PubChem CID: 157317157
• Molecular Formula: C₁₆H₃₃BO
• Molecular Weight: 252.25 g/mol
• Exact Mass: 252.26
• IUPAC Name: —
• SMILES: C=C.C=C.C=C.[B]OCCCCCCCCCC
• InChI: InChI=1S/C10H21BO.3C2H4/c1-2-3-4-5-6-7-8-9-10-12-11;3*1-2/h2-10H2,1H3;3*1-2H2
• InChIKey: BDSSZTDURKLQQU-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	252.25
LogP ≤ 5	5.63
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 157317157?

The IUPAC name of CID 157317157 (CID 157317157) is not available.

What is the SMILES notation for CID 157317157?

The canonical SMILES for CID 157317157 is C=C.C=C.C=C.[B]OCCCCCCCCCC.

What is the InChIKey of CID 157317157?

The InChIKey is BDSSZTDURKLQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO.3C2H4/c1-2-3-4-5-6-7-8-9-10-12-11;3*1-2/h2-10H2,1H3;3*1-2H2.

What are the key properties of CID 157317157?

CID 157317157 has a molecular weight of 252.25 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157317157 is sourced from PubChem (CID 157317157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157317157 — identifiers, structure, computed properties (public domain)

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