[(E)-3-cyclohexylprop-1-enyl]boronic acid

C9H17BO2 — CID 6031959

IUPAC[(E)-3-cyclohexylprop-1-enyl]boronic acid
SMILESOB(O)/C=C/CC1CCCCC1
InChIInChI=1S/C9H17BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9,11-12H,1-3,5-7H2/b8-4+
InChIKeyQJMBKPFFNAOTIV-XBXARRHUSA-N
MW168.05 g/mol
LogP1.52
Rot. Bonds3

About [(E)-3-cyclohexylprop-1-enyl]boronic acid

[(E)-3-cyclohexylprop-1-enyl]boronic acid (PubChem CID 6031959) has the molecular formula C9H17BO2 and a molecular weight of 168.05 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-1-enyl]boronic acid
PubChem CID6031959
Molecular FormulaC9H17BO2
Molecular Weight168.05 g/mol
Exact Mass168.13
IUPAC Name[(E)-3-cyclohexylprop-1-enyl]boronic acid
SMILESOB(O)/C=C/CC1CCCCC1
InChIInChI=1S/C9H17BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9,11-12H,1-3,5-7H2/b8-4+
InChIKeyQJMBKPFFNAOTIV-XBXARRHUSA-N
XLogP1.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.05
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(E)-3-cyclohexylprop-1-enyl]boronic acid?
The IUPAC name of [(E)-3-cyclohexylprop-1-enyl]boronic acid (CID 6031959) is [(E)-3-cyclohexylprop-1-enyl]boronic acid.
What is the SMILES notation for [(E)-3-cyclohexylprop-1-enyl]boronic acid?
The canonical SMILES for [(E)-3-cyclohexylprop-1-enyl]boronic acid is OB(O)/C=C/CC1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylprop-1-enyl]boronic acid?
The InChIKey is QJMBKPFFNAOTIV-XBXARRHUSA-N. The full InChI is InChI=1S/C9H17BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9,11-12H,1-3,5-7H2/b8-4+.
What are the key properties of [(E)-3-cyclohexylprop-1-enyl]boronic acid?
[(E)-3-cyclohexylprop-1-enyl]boronic acid has a molecular weight of 168.05 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylprop-1-enyl]boronic acid is sourced from PubChem (CID 6031959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).