cyclohexen-1-yloxy(diethyl)borane

C10H19BO — CID 86169622

IUPACcyclohexen-1-yloxy(diethyl)borane
SMILESCCB(CC)OC1=CCCCC1
InChIInChI=1S/C10H19BO/c1-3-11(4-2)12-10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3
InChIKeyXRQBJDUNQCQTSJ-UHFFFAOYSA-N
MW166.07 g/mol
LogP3.49
Rot. Bonds4

About cyclohexen-1-yloxy(diethyl)borane

cyclohexen-1-yloxy(diethyl)borane (PubChem CID 86169622) has the molecular formula C10H19BO and a molecular weight of 166.07 g/mol. Its IUPAC name is cyclohexen-1-yloxy(diethyl)borane.

Molecular Properties

Compound Namecyclohexen-1-yloxy(diethyl)borane
PubChem CID86169622
Molecular FormulaC10H19BO
Molecular Weight166.07 g/mol
Exact Mass166.15
IUPAC Namecyclohexen-1-yloxy(diethyl)borane
SMILESCCB(CC)OC1=CCCCC1
InChIInChI=1S/C10H19BO/c1-3-11(4-2)12-10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3
InChIKeyXRQBJDUNQCQTSJ-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 134888580
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CID 134979239
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CID 5370120
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CID 557750
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CID 12737525
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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yloxy(diethyl)borane?
The IUPAC name of cyclohexen-1-yloxy(diethyl)borane (CID 86169622) is cyclohexen-1-yloxy(diethyl)borane.
What is the SMILES notation for cyclohexen-1-yloxy(diethyl)borane?
The canonical SMILES for cyclohexen-1-yloxy(diethyl)borane is CCB(CC)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yloxy(diethyl)borane?
The InChIKey is XRQBJDUNQCQTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO/c1-3-11(4-2)12-10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3.
What are the key properties of cyclohexen-1-yloxy(diethyl)borane?
cyclohexen-1-yloxy(diethyl)borane has a molecular weight of 166.07 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yloxy(diethyl)borane is sourced from PubChem (CID 86169622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).