CID 123515274

C10H22B — CID 123515274

IUPAC—
SMILESCCCC(C)([B]C(C)C)CC
InChIInChI=1S/C10H22B/c1-6-8-10(5,7-2)11-9(3)4/h9H,6-8H2,1-5H3
InChIKeyZBKPBUXALIWANO-UHFFFAOYSA-N
MW153.10 g/mol
LogP3.91
Rot. Bonds5

About CID 123515274

CID 123515274 (PubChem CID 123515274) has the molecular formula C10H22B and a molecular weight of 153.10 g/mol.

Molecular Properties

Compound NameCID 123515274
PubChem CID123515274
Molecular FormulaC10H22B
Molecular Weight153.10 g/mol
Exact Mass153.18
IUPAC Name—
SMILESCCCC(C)([B]C(C)C)CC
InChIInChI=1S/C10H22B/c1-6-8-10(5,7-2)11-9(3)4/h9H,6-8H2,1-5H3
InChIKeyZBKPBUXALIWANO-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123515274?
The IUPAC name of CID 123515274 (CID 123515274) is not available.
What is the SMILES notation for CID 123515274?
The canonical SMILES for CID 123515274 is CCCC(C)([B]C(C)C)CC.
What is the InChIKey of CID 123515274?
The InChIKey is ZBKPBUXALIWANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22B/c1-6-8-10(5,7-2)11-9(3)4/h9H,6-8H2,1-5H3.
What are the key properties of CID 123515274?
CID 123515274 has a molecular weight of 153.10 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123515274 is sourced from PubChem (CID 123515274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).