5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine

C10H17BO2 — CID 154712815

IUPAC5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine
SMILESOB1CC=C(C2CCCCC2)CO1
InChIInChI=1S/C10H17BO2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h6,9,12H,1-5,7-8H2
InChIKeyLPEOVQWDPQZQCU-UHFFFAOYSA-N
MW180.06 g/mol
LogP2.00
Rot. Bonds1

About 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine

5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine (PubChem CID 154712815) has the molecular formula C10H17BO2 and a molecular weight of 180.06 g/mol. Its IUPAC name is 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine.

Molecular Properties

Compound Name5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine
PubChem CID154712815
Molecular FormulaC10H17BO2
Molecular Weight180.06 g/mol
Exact Mass180.13
IUPAC Name5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine
SMILESOB1CC=C(C2CCCCC2)CO1
InChIInChI=1S/C10H17BO2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h6,9,12H,1-5,7-8H2
InChIKeyLPEOVQWDPQZQCU-UHFFFAOYSA-N
XLogP2.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine 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 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine?
The IUPAC name of 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine (CID 154712815) is 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine.
What is the SMILES notation for 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine?
The canonical SMILES for 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine is OB1CC=C(C2CCCCC2)CO1.
What is the InChIKey of 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine?
The InChIKey is LPEOVQWDPQZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h6,9,12H,1-5,7-8H2.
What are the key properties of 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine?
5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine has a molecular weight of 180.06 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine is sourced from PubChem (CID 154712815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).