CID 67187022

C14H22BO2 — CID 67187022

IUPAC—
SMILES[B](OC1=CCCCCC1)OC1=CCCCCC1
InChIInChI=1S/C14H22BO2/c1-2-6-10-13(9-5-1)16-15-17-14-11-7-3-4-8-12-14/h9,11H,1-8,10,12H2
InChIKeyDARNOGYLROZABF-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.25
Rot. Bonds4

About CID 67187022

CID 67187022 (PubChem CID 67187022) has the molecular formula C14H22BO2 and a molecular weight of 233.14 g/mol.

Molecular Properties

Compound NameCID 67187022
PubChem CID67187022
Molecular FormulaC14H22BO2
Molecular Weight233.14 g/mol
Exact Mass233.17
IUPAC Name—
SMILES[B](OC1=CCCCCC1)OC1=CCCCCC1
InChIInChI=1S/C14H22BO2/c1-2-6-10-13(9-5-1)16-15-17-14-11-7-3-4-8-12-14/h9,11H,1-8,10,12H2
InChIKeyDARNOGYLROZABF-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 67187022 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 67187022?
The IUPAC name of CID 67187022 (CID 67187022) is not available.
What is the SMILES notation for CID 67187022?
The canonical SMILES for CID 67187022 is [B](OC1=CCCCCC1)OC1=CCCCCC1.
What is the InChIKey of CID 67187022?
The InChIKey is DARNOGYLROZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BO2/c1-2-6-10-13(9-5-1)16-15-17-14-11-7-3-4-8-12-14/h9,11H,1-8,10,12H2.
What are the key properties of CID 67187022?
CID 67187022 has a molecular weight of 233.14 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67187022 is sourced from PubChem (CID 67187022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).