CID 174117003

C10H17B2P — CID 174117003

IUPAC—
SMILES[B]C([B])(P)C12CC(C(C)(C)C)(C1)C2
InChIInChI=1S/C10H17B2P/c1-7(2,3)8-4-9(5-8,6-8)10(11,12)13/h4-6,13H2,1-3H3
InChIKeyQDVGNQIUAGCZAI-UHFFFAOYSA-N
MW189.84 g/mol
LogP2.07
Rot. Bonds1

About CID 174117003

CID 174117003 (PubChem CID 174117003) has the molecular formula C10H17B2P and a molecular weight of 189.84 g/mol.

Molecular Properties

Compound NameCID 174117003
PubChem CID174117003
Molecular FormulaC10H17B2P
Molecular Weight189.84 g/mol
Exact Mass190.13
IUPAC Name—
SMILES[B]C([B])(P)C12CC(C(C)(C)C)(C1)C2
InChIInChI=1S/C10H17B2P/c1-7(2,3)8-4-9(5-8,6-8)10(11,12)13/h4-6,13H2,1-3H3
InChIKeyQDVGNQIUAGCZAI-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.84
LogP ≤ 52.07
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 174117003 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 174117003?
The IUPAC name of CID 174117003 (CID 174117003) is not available.
What is the SMILES notation for CID 174117003?
The canonical SMILES for CID 174117003 is [B]C([B])(P)C12CC(C(C)(C)C)(C1)C2.
What is the InChIKey of CID 174117003?
The InChIKey is QDVGNQIUAGCZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17B2P/c1-7(2,3)8-4-9(5-8,6-8)10(11,12)13/h4-6,13H2,1-3H3.
What are the key properties of CID 174117003?
CID 174117003 has a molecular weight of 189.84 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174117003 is sourced from PubChem (CID 174117003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).