cyclohexylmethylidyneborane

C7H11B — CID 159011895

IUPACcyclohexylmethylidyneborane
SMILESB#CC1CCCCC1
InChIInChI=1S/C7H11B/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChIKeyJSPDQKCOOKONSE-UHFFFAOYSA-N
MW105.98 g/mol
LogP1.69
Rot. Bonds

About cyclohexylmethylidyneborane

cyclohexylmethylidyneborane (PubChem CID 159011895) has the molecular formula C7H11B and a molecular weight of 105.98 g/mol. Its IUPAC name is cyclohexylmethylidyneborane.

Molecular Properties

Compound Namecyclohexylmethylidyneborane
PubChem CID159011895
Molecular FormulaC7H11B
Molecular Weight105.98 g/mol
Exact Mass106.10
IUPAC Namecyclohexylmethylidyneborane
SMILESB#CC1CCCCC1
InChIInChI=1S/C7H11B/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChIKeyJSPDQKCOOKONSE-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.98
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 cyclohexylmethylidyneborane?
The IUPAC name of cyclohexylmethylidyneborane (CID 159011895) is cyclohexylmethylidyneborane.
What is the SMILES notation for cyclohexylmethylidyneborane?
The canonical SMILES for cyclohexylmethylidyneborane is B#CC1CCCCC1.
What is the InChIKey of cyclohexylmethylidyneborane?
The InChIKey is JSPDQKCOOKONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11B/c8-6-7-4-2-1-3-5-7/h7H,1-5H2.
What are the key properties of cyclohexylmethylidyneborane?
cyclohexylmethylidyneborane has a molecular weight of 105.98 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylidyneborane is sourced from PubChem (CID 159011895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).