chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane

C10H19BClO3P — CID 101073702

IUPACchloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane
SMILESC=CP(=O)(OCC)OB(Cl)C1CCCCC1
InChIInChI=1S/C10H19BClO3P/c1-3-14-16(13,4-2)15-11(12)10-8-6-5-7-9-10/h4,10H,2-3,5-9H2,1H3
InChIKeyVADZFRPDEAGPSP-UHFFFAOYSA-N
MW264.50 g/mol
LogP4.44
Rot. Bonds6

About chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane

chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane (PubChem CID 101073702) has the molecular formula C10H19BClO3P and a molecular weight of 264.50 g/mol. Its IUPAC name is chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane.

Molecular Properties

Compound Namechloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane
PubChem CID101073702
Molecular FormulaC10H19BClO3P
Molecular Weight264.50 g/mol
Exact Mass264.09
IUPAC Namechloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane
SMILESC=CP(=O)(OCC)OB(Cl)C1CCCCC1
InChIInChI=1S/C10H19BClO3P/c1-3-14-16(13,4-2)15-11(12)10-8-6-5-7-9-10/h4,10H,2-3,5-9H2,1H3
InChIKeyVADZFRPDEAGPSP-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane?
The IUPAC name of chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane (CID 101073702) is chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane.
What is the SMILES notation for chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane?
The canonical SMILES for chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane is C=CP(=O)(OCC)OB(Cl)C1CCCCC1.
What is the InChIKey of chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane?
The InChIKey is VADZFRPDEAGPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BClO3P/c1-3-14-16(13,4-2)15-11(12)10-8-6-5-7-9-10/h4,10H,2-3,5-9H2,1H3.
What are the key properties of chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane?
chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane has a molecular weight of 264.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane is sourced from PubChem (CID 101073702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).