CID 162071165

C13H27B — CID 162071165

IUPAC—
SMILESC=CC.CC1CCCCC1.[B]CCC
InChIInChI=1S/C7H14.C3H7B.C3H6/c1-7-5-3-2-4-6-7;1-2-3-4;1-3-2/h7H,2-6H2,1H3;2-3H2,1H3;3H,1H2,2H3
InChIKeySCNGDKOARZIWTC-UHFFFAOYSA-N
MW194.17 g/mol
LogP4.76
Rot. Bonds1

About CID 162071165

CID 162071165 (PubChem CID 162071165) has the molecular formula C13H27B and a molecular weight of 194.17 g/mol.

Molecular Properties

Compound NameCID 162071165
PubChem CID162071165
Molecular FormulaC13H27B
Molecular Weight194.17 g/mol
Exact Mass194.22
IUPAC Name—
SMILESC=CC.CC1CCCCC1.[B]CCC
InChIInChI=1S/C7H14.C3H7B.C3H6/c1-7-5-3-2-4-6-7;1-2-3-4;1-3-2/h7H,2-6H2,1H3;2-3H2,1H3;3H,1H2,2H3
InChIKeySCNGDKOARZIWTC-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 162071165 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 162071165?
The IUPAC name of CID 162071165 (CID 162071165) is not available.
What is the SMILES notation for CID 162071165?
The canonical SMILES for CID 162071165 is C=CC.CC1CCCCC1.[B]CCC.
What is the InChIKey of CID 162071165?
The InChIKey is SCNGDKOARZIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H7B.C3H6/c1-7-5-3-2-4-6-7;1-2-3-4;1-3-2/h7H,2-6H2,1H3;2-3H2,1H3;3H,1H2,2H3.
What are the key properties of CID 162071165?
CID 162071165 has a molecular weight of 194.17 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162071165 is sourced from PubChem (CID 162071165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).