cyclohexen-1-ylphosphonic acid

C6H11O3P — CID 14979139

IUPACcyclohexen-1-ylphosphonic acid
SMILESO=P(O)(O)C1=CCCCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H2,7,8,9)
InChIKeyLVEKJWLAJJVWIT-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.62
Rot. Bonds1

About cyclohexen-1-ylphosphonic acid

cyclohexen-1-ylphosphonic acid (PubChem CID 14979139) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is cyclohexen-1-ylphosphonic acid.

Molecular Properties

Compound Namecyclohexen-1-ylphosphonic acid
PubChem CID14979139
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Namecyclohexen-1-ylphosphonic acid
SMILESO=P(O)(O)C1=CCCCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H2,7,8,9)
InChIKeyLVEKJWLAJJVWIT-UHFFFAOYSA-N
XLogP1.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylphosphonic acid?
The IUPAC name of cyclohexen-1-ylphosphonic acid (CID 14979139) is cyclohexen-1-ylphosphonic acid.
What is the SMILES notation for cyclohexen-1-ylphosphonic acid?
The canonical SMILES for cyclohexen-1-ylphosphonic acid is O=P(O)(O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylphosphonic acid?
The InChIKey is LVEKJWLAJJVWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H2,7,8,9).
What are the key properties of cyclohexen-1-ylphosphonic acid?
cyclohexen-1-ylphosphonic acid has a molecular weight of 162.12 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylphosphonic acid is sourced from PubChem (CID 14979139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).