cyclohex-2-en-1-ylphosphonic acid

C6H11O3P — CID 23415584

IUPACcyclohex-2-en-1-ylphosphonic acid
SMILESO=P(O)(O)C1C=CCCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H2,7,8,9)
InChIKeyFCPZWSAJRRKPLK-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.27
Rot. Bonds1

About cyclohex-2-en-1-ylphosphonic acid

cyclohex-2-en-1-ylphosphonic acid (PubChem CID 23415584) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is cyclohex-2-en-1-ylphosphonic acid.

Molecular Properties

Compound Namecyclohex-2-en-1-ylphosphonic acid
PubChem CID23415584
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Namecyclohex-2-en-1-ylphosphonic acid
SMILESO=P(O)(O)C1C=CCCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H2,7,8,9)
InChIKeyFCPZWSAJRRKPLK-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylphosphonic acid?
The IUPAC name of cyclohex-2-en-1-ylphosphonic acid (CID 23415584) is cyclohex-2-en-1-ylphosphonic acid.
What is the SMILES notation for cyclohex-2-en-1-ylphosphonic acid?
The canonical SMILES for cyclohex-2-en-1-ylphosphonic acid is O=P(O)(O)C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylphosphonic acid?
The InChIKey is FCPZWSAJRRKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H2,7,8,9).
What are the key properties of cyclohex-2-en-1-ylphosphonic acid?
cyclohex-2-en-1-ylphosphonic acid has a molecular weight of 162.12 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylphosphonic acid is sourced from PubChem (CID 23415584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).