CID 159833518

C₂₃H₃₈B — CID 159833518

About CID 159833518

CID 159833518 (PubChem CID 159833518) has the molecular formula C₂₃H₃₈B and a molecular weight of 325.37 g/mol.

Molecular Properties

• Compound Name: CID 159833518
• PubChem CID: 159833518
• Molecular Formula: C₂₃H₃₈B
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.31
• IUPAC Name: —
• SMILES: C=C=CC=C.C=CCCCC(C)C=C.C=CCCCC=CCC.[B]
• InChI: InChI=1S/2C9H16.C5H6.B/c1-4-6-7-8-9(3)5-2;1-3-5-7-9-8-6-4-2;1-3-5-4-2;/h4-5,9H,1-2,6-8H2,3H3;3,6,8H,1,4-5,7,9H2,2H3;3,5H,1-2H2
• InChIKey: SVWAJXXQFWQTLQ-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 159833518?

The IUPAC name of CID 159833518 (CID 159833518) is not available.

What is the SMILES notation for CID 159833518?

The canonical SMILES for CID 159833518 is C=C=CC=C.C=CCCCC(C)C=C.C=CCCCC=CCC.[B].

What is the InChIKey of CID 159833518?

The InChIKey is SVWAJXXQFWQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16.C5H6.B/c1-4-6-7-8-9(3)5-2;1-3-5-7-9-8-6-4-2;1-3-5-4-2;/h4-5,9H,1-2,6-8H2,3H3;3,6,8H,1,4-5,7,9H2,2H3;3,5H,1-2H2;.

What are the key properties of CID 159833518?

CID 159833518 has a molecular weight of 325.37 g/mol, XLogP of 7.61, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159833518 is sourced from PubChem (CID 159833518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159833518 — identifiers, structure, computed properties (public domain)

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