cyclohexyloxycarbonylphosphonic acid

C7H13O5P — CID 512087

IUPACcyclohexyloxycarbonylphosphonic acid
SMILESO=C(OC1CCCCC1)P(=O)(O)O
InChIInChI=1S/C7H13O5P/c8-7(13(9,10)11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11)
InChIKeyBPNYNXIVYOWIML-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.63
Rot. Bonds2

About cyclohexyloxycarbonylphosphonic acid

cyclohexyloxycarbonylphosphonic acid (PubChem CID 512087) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is cyclohexyloxycarbonylphosphonic acid.

Molecular Properties

Compound Namecyclohexyloxycarbonylphosphonic acid
PubChem CID512087
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Namecyclohexyloxycarbonylphosphonic acid
SMILESO=C(OC1CCCCC1)P(=O)(O)O
InChIInChI=1S/C7H13O5P/c8-7(13(9,10)11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11)
InChIKeyBPNYNXIVYOWIML-UHFFFAOYSA-N
XLogP1.63
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxycarbonylphosphonic acid?
The IUPAC name of cyclohexyloxycarbonylphosphonic acid (CID 512087) is cyclohexyloxycarbonylphosphonic acid.
What is the SMILES notation for cyclohexyloxycarbonylphosphonic acid?
The canonical SMILES for cyclohexyloxycarbonylphosphonic acid is O=C(OC1CCCCC1)P(=O)(O)O.
What is the InChIKey of cyclohexyloxycarbonylphosphonic acid?
The InChIKey is BPNYNXIVYOWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O5P/c8-7(13(9,10)11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11).
What are the key properties of cyclohexyloxycarbonylphosphonic acid?
cyclohexyloxycarbonylphosphonic acid has a molecular weight of 208.15 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxycarbonylphosphonic acid is sourced from PubChem (CID 512087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).