CID 59964934

C6H11BO3 — CID 59964934

IUPAC—
SMILES[B][C@@H]1OC(C)(C)C(O)C1O
InChIInChI=1S/C6H11BO3/c1-6(2)4(9)3(8)5(7)10-6/h3-5,8-9H,1-2H3/t3?,4?,5-/m1/s1
InChIKeyUVLHFYOJUNQTDL-ZAGMFXPOSA-N
MW141.96 g/mol
LogP-0.99
Rot. Bonds

About CID 59964934

CID 59964934 (PubChem CID 59964934) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol.

Molecular Properties

Compound NameCID 59964934
PubChem CID59964934
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name—
SMILES[B][C@@H]1OC(C)(C)C(O)C1O
InChIInChI=1S/C6H11BO3/c1-6(2)4(9)3(8)5(7)10-6/h3-5,8-9H,1-2H3/t3?,4?,5-/m1/s1
InChIKeyUVLHFYOJUNQTDL-ZAGMFXPOSA-N
XLogP-0.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 59964934 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 59964934?
The IUPAC name of CID 59964934 (CID 59964934) is not available.
What is the SMILES notation for CID 59964934?
The canonical SMILES for CID 59964934 is [B][C@@H]1OC(C)(C)C(O)C1O.
What is the InChIKey of CID 59964934?
The InChIKey is UVLHFYOJUNQTDL-ZAGMFXPOSA-N. The full InChI is InChI=1S/C6H11BO3/c1-6(2)4(9)3(8)5(7)10-6/h3-5,8-9H,1-2H3/t3?,4?,5-/m1/s1.
What are the key properties of CID 59964934?
CID 59964934 has a molecular weight of 141.96 g/mol, XLogP of -0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59964934 is sourced from PubChem (CID 59964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).