CID 174147625

C11H19B2 — CID 174147625

IUPAC—
SMILES[B]C(C)([B]C)C1CCC2CCCC21
InChIInChI=1S/C11H19B2/c1-11(12,13-2)10-7-6-8-4-3-5-9(8)10/h8-10H,3-7H2,1-2H3
InChIKeyAEGKPDHTYNWXAX-UHFFFAOYSA-N
MW172.90 g/mol
LogP2.87
Rot. Bonds2

About CID 174147625

CID 174147625 (PubChem CID 174147625) has the molecular formula C11H19B2 and a molecular weight of 172.90 g/mol.

Molecular Properties

Compound NameCID 174147625
PubChem CID174147625
Molecular FormulaC11H19B2
Molecular Weight172.90 g/mol
Exact Mass173.17
IUPAC Name—
SMILES[B]C(C)([B]C)C1CCC2CCCC21
InChIInChI=1S/C11H19B2/c1-11(12,13-2)10-7-6-8-4-3-5-9(8)10/h8-10H,3-7H2,1-2H3
InChIKeyAEGKPDHTYNWXAX-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.90
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 174147625 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 174147625?
The IUPAC name of CID 174147625 (CID 174147625) is not available.
What is the SMILES notation for CID 174147625?
The canonical SMILES for CID 174147625 is [B]C(C)([B]C)C1CCC2CCCC21.
What is the InChIKey of CID 174147625?
The InChIKey is AEGKPDHTYNWXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19B2/c1-11(12,13-2)10-7-6-8-4-3-5-9(8)10/h8-10H,3-7H2,1-2H3.
What are the key properties of CID 174147625?
CID 174147625 has a molecular weight of 172.90 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174147625 is sourced from PubChem (CID 174147625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).