(2-hydroxycyclohexyl)boronic acid

C6H13BO3 — CID 58488729

IUPAC(2-hydroxycyclohexyl)boronic acid
SMILESOB(O)C1CCCCC1O
InChIInChI=1S/C6H13BO3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8-10H,1-4H2
InChIKeyVFQBYSVNZJUPLK-UHFFFAOYSA-N
MW143.98 g/mol
LogP-0.24
Rot. Bonds1

About (2-hydroxycyclohexyl)boronic acid

(2-hydroxycyclohexyl)boronic acid (PubChem CID 58488729) has the molecular formula C6H13BO3 and a molecular weight of 143.98 g/mol. Its IUPAC name is (2-hydroxycyclohexyl)boronic acid.

Molecular Properties

Compound Name(2-hydroxycyclohexyl)boronic acid
PubChem CID58488729
Molecular FormulaC6H13BO3
Molecular Weight143.98 g/mol
Exact Mass144.10
IUPAC Name(2-hydroxycyclohexyl)boronic acid
SMILESOB(O)C1CCCCC1O
InChIInChI=1S/C6H13BO3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8-10H,1-4H2
InChIKeyVFQBYSVNZJUPLK-UHFFFAOYSA-N
XLogP-0.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.98
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclohexyl)boronic acid?
The IUPAC name of (2-hydroxycyclohexyl)boronic acid (CID 58488729) is (2-hydroxycyclohexyl)boronic acid.
What is the SMILES notation for (2-hydroxycyclohexyl)boronic acid?
The canonical SMILES for (2-hydroxycyclohexyl)boronic acid is OB(O)C1CCCCC1O.
What is the InChIKey of (2-hydroxycyclohexyl)boronic acid?
The InChIKey is VFQBYSVNZJUPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8-10H,1-4H2.
What are the key properties of (2-hydroxycyclohexyl)boronic acid?
(2-hydroxycyclohexyl)boronic acid has a molecular weight of 143.98 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclohexyl)boronic acid is sourced from PubChem (CID 58488729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).