CID 57266034

C10H22BO2 — CID 57266034

IUPAC—
SMILESCCCCCO[B]OCCCCC
InChIInChI=1S/C10H22BO2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyHZSFSPNZPQWJHQ-UHFFFAOYSA-N
MW185.10 g/mol
LogP2.93
Rot. Bonds10

About CID 57266034

CID 57266034 (PubChem CID 57266034) has the molecular formula C10H22BO2 and a molecular weight of 185.10 g/mol.

Molecular Properties

Compound NameCID 57266034
PubChem CID57266034
Molecular FormulaC10H22BO2
Molecular Weight185.10 g/mol
Exact Mass185.17
IUPAC Name—
SMILESCCCCCO[B]OCCCCC
InChIInChI=1S/C10H22BO2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyHZSFSPNZPQWJHQ-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 57266034 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 57266034?
The IUPAC name of CID 57266034 (CID 57266034) is not available.
What is the SMILES notation for CID 57266034?
The canonical SMILES for CID 57266034 is CCCCCO[B]OCCCCC.
What is the InChIKey of CID 57266034?
The InChIKey is HZSFSPNZPQWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BO2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of CID 57266034?
CID 57266034 has a molecular weight of 185.10 g/mol, XLogP of 2.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57266034 is sourced from PubChem (CID 57266034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).