[(4R)-4-hydroxycyclohexen-1-yl]boronic acid

C6H11BO3 — CID 124635727

IUPAC[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
SMILESOB(O)C1=CC[C@H](O)CC1
InChIInChI=1S/C6H11BO3/c8-6-3-1-5(2-4-6)7(9)10/h1,6,8-10H,2-4H2/t6-/m0/s1
InChIKeyDXDNJLOMTLODHR-LURJTMIESA-N
MW141.96 g/mol
LogP-0.53
Rot. Bonds1

About [(4R)-4-hydroxycyclohexen-1-yl]boronic acid

[(4R)-4-hydroxycyclohexen-1-yl]boronic acid (PubChem CID 124635727) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol. Its IUPAC name is [(4R)-4-hydroxycyclohexen-1-yl]boronic acid.

Molecular Properties

Compound Name[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
PubChem CID124635727
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
SMILESOB(O)C1=CC[C@H](O)CC1
InChIInChI=1S/C6H11BO3/c8-6-3-1-5(2-4-6)7(9)10/h1,6,8-10H,2-4H2/t6-/m0/s1
InChIKeyDXDNJLOMTLODHR-LURJTMIESA-N
XLogP-0.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 5-0.53
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 [(4R)-4-hydroxycyclohexen-1-yl]boronic acid?
The IUPAC name of [(4R)-4-hydroxycyclohexen-1-yl]boronic acid (CID 124635727) is [(4R)-4-hydroxycyclohexen-1-yl]boronic acid.
What is the SMILES notation for [(4R)-4-hydroxycyclohexen-1-yl]boronic acid?
The canonical SMILES for [(4R)-4-hydroxycyclohexen-1-yl]boronic acid is OB(O)C1=CC[C@H](O)CC1.
What is the InChIKey of [(4R)-4-hydroxycyclohexen-1-yl]boronic acid?
The InChIKey is DXDNJLOMTLODHR-LURJTMIESA-N. The full InChI is InChI=1S/C6H11BO3/c8-6-3-1-5(2-4-6)7(9)10/h1,6,8-10H,2-4H2/t6-/m0/s1.
What are the key properties of [(4R)-4-hydroxycyclohexen-1-yl]boronic acid?
[(4R)-4-hydroxycyclohexen-1-yl]boronic acid has a molecular weight of 141.96 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxycyclohexen-1-yl]boronic acid is sourced from PubChem (CID 124635727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).