CID 89375830

C12H16BP — CID 89375830

IUPAC—
SMILES[B]P(c1ccccc1)C1CCCCC1
InChIInChI=1S/C12H16BP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyTYLYZRZFFWHQAN-UHFFFAOYSA-N
MW202.05 g/mol
LogP3.21
Rot. Bonds2

About CID 89375830

CID 89375830 (PubChem CID 89375830) has the molecular formula C12H16BP and a molecular weight of 202.05 g/mol.

Molecular Properties

Compound NameCID 89375830
PubChem CID89375830
Molecular FormulaC12H16BP
Molecular Weight202.05 g/mol
Exact Mass202.11
IUPAC Name—
SMILES[B]P(c1ccccc1)C1CCCCC1
InChIInChI=1S/C12H16BP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyTYLYZRZFFWHQAN-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 53.21
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'}

Analyze CID 89375830 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89375830?
The IUPAC name of CID 89375830 (CID 89375830) is not available.
What is the SMILES notation for CID 89375830?
The canonical SMILES for CID 89375830 is [B]P(c1ccccc1)C1CCCCC1.
What is the InChIKey of CID 89375830?
The InChIKey is TYLYZRZFFWHQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of CID 89375830?
CID 89375830 has a molecular weight of 202.05 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89375830 is sourced from PubChem (CID 89375830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).