[cyclohexen-1-yl(hydroxy)boranyl]oxidanium

C6H12BO2+ — CID 177144763

IUPAC[cyclohexen-1-yl(hydroxy)boranyl]oxidanium
SMILESOB([OH2+])C1=CCCCC1
InChIInChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2/p+1
InChIKeyXZWQKJXJNKYMAP-UHFFFAOYSA-O
MW126.97 g/mol
LogP0.23
Rot. Bonds1

About [cyclohexen-1-yl(hydroxy)boranyl]oxidanium

[cyclohexen-1-yl(hydroxy)boranyl]oxidanium (PubChem CID 177144763) has the molecular formula C6H12BO2+ and a molecular weight of 126.97 g/mol. Its IUPAC name is [cyclohexen-1-yl(hydroxy)boranyl]oxidanium.

Molecular Properties

Compound Name[cyclohexen-1-yl(hydroxy)boranyl]oxidanium
PubChem CID177144763
Molecular FormulaC6H12BO2+
Molecular Weight126.97 g/mol
Exact Mass127.09
IUPAC Name[cyclohexen-1-yl(hydroxy)boranyl]oxidanium
SMILESOB([OH2+])C1=CCCCC1
InChIInChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2/p+1
InChIKeyXZWQKJXJNKYMAP-UHFFFAOYSA-O
XLogP0.23
TPSA43.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.97
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohepten-1-yl-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 56845034
1-bromocyclohexene
CID 519775
cycloocten-1-yl-di(propan-2-yloxy)borane
CID 159470361
CID 68827586
CID 68827586
1,2-di(cyclohexen-1-yl)hydrazine
CID 162410635
(1Z)-cyclododecen-1-ol
CID 69035385
(1E)-1-bromocyclododecene
CID 12594202
cyclohexen-1-ol;hydrochloride
CID 161470174
(1E,8E)-1,8-dibromocyclotetradeca-1,8-diene
CID 11792107
lithium (1E)-cyclododecen-1-olate
CID 23682255
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371

Frequently Asked Questions

What is the IUPAC name of [cyclohexen-1-yl(hydroxy)boranyl]oxidanium?
The IUPAC name of [cyclohexen-1-yl(hydroxy)boranyl]oxidanium (CID 177144763) is [cyclohexen-1-yl(hydroxy)boranyl]oxidanium.
What is the SMILES notation for [cyclohexen-1-yl(hydroxy)boranyl]oxidanium?
The canonical SMILES for [cyclohexen-1-yl(hydroxy)boranyl]oxidanium is OB([OH2+])C1=CCCCC1.
What is the InChIKey of [cyclohexen-1-yl(hydroxy)boranyl]oxidanium?
The InChIKey is XZWQKJXJNKYMAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2/p+1.
What are the key properties of [cyclohexen-1-yl(hydroxy)boranyl]oxidanium?
[cyclohexen-1-yl(hydroxy)boranyl]oxidanium has a molecular weight of 126.97 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexen-1-yl(hydroxy)boranyl]oxidanium is sourced from PubChem (CID 177144763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).