CID 136675423

C14H32BP — CID 136675423

IUPAC—
SMILESCC[B-][P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H32BP/c1-5-9-12-16(15-8-4,13-10-6-2)14-11-7-3/h5-14H2,1-4H3
InChIKeyRVAIBSKPRVNEGY-UHFFFAOYSA-N
MW242.20 g/mol
LogP5.46
Rot. Bonds11

About CID 136675423

CID 136675423 (PubChem CID 136675423) has the molecular formula C14H32BP and a molecular weight of 242.20 g/mol.

Molecular Properties

Compound NameCID 136675423
PubChem CID136675423
Molecular FormulaC14H32BP
Molecular Weight242.20 g/mol
Exact Mass242.23
IUPAC Name—
SMILESCC[B-][P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H32BP/c1-5-9-12-16(15-8-4,13-10-6-2)14-11-7-3/h5-14H2,1-4H3
InChIKeyRVAIBSKPRVNEGY-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.20
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136675423?
The IUPAC name of CID 136675423 (CID 136675423) is not available.
What is the SMILES notation for CID 136675423?
The canonical SMILES for CID 136675423 is CC[B-][P+](CCCC)(CCCC)CCCC.
What is the InChIKey of CID 136675423?
The InChIKey is RVAIBSKPRVNEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32BP/c1-5-9-12-16(15-8-4,13-10-6-2)14-11-7-3/h5-14H2,1-4H3.
What are the key properties of CID 136675423?
CID 136675423 has a molecular weight of 242.20 g/mol, XLogP of 5.46, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136675423 is sourced from PubChem (CID 136675423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).