cyclohex-3-en-1-ylphosphonic acid

C6H11O3P — CID 23415582

IUPACcyclohex-3-en-1-ylphosphonic acid
SMILESO=P(O)(O)C1CC=CCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)
InChIKeyINHCGMROQQHCEC-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.27
Rot. Bonds1

About cyclohex-3-en-1-ylphosphonic acid

cyclohex-3-en-1-ylphosphonic acid (PubChem CID 23415582) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is cyclohex-3-en-1-ylphosphonic acid.

Molecular Properties

Compound Namecyclohex-3-en-1-ylphosphonic acid
PubChem CID23415582
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Namecyclohex-3-en-1-ylphosphonic acid
SMILESO=P(O)(O)C1CC=CCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)
InChIKeyINHCGMROQQHCEC-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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Related Compounds

Cyclohex-1-en-1-ylphosphonic acid
CID 14979139
Phosphonocyclopentene
CID 19104464
Cyclohexen-2-yl-phosphinic acid
CID 129810352
Cyclohexen-1-yl(ethyl)phosphinic acid
CID 23418944
Ethylidene-tetramethylene phosphonic acid
CID 87731824
Cyclohexa-1,4-diene phosphonate
CID 129765677
Phosphocyclopentene-3
CID 129772211
3-Cyclohexene-1,1-diphosphonic acid
CID 15067938
(1-Phosphonocyclohex-2-en-1-yl)phosphonic acid
CID 15067943
[(E)-dodec-5-enyl]phosphonic acid
CID 16747447
Cyclohexene;phosphoric acid
CID 19784791
hydroxy-oxo-[(E)-pent-3-enyl]phosphanium
CID 20026337

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylphosphonic acid?
The IUPAC name of cyclohex-3-en-1-ylphosphonic acid (CID 23415582) is cyclohex-3-en-1-ylphosphonic acid.
What is the SMILES notation for cyclohex-3-en-1-ylphosphonic acid?
The canonical SMILES for cyclohex-3-en-1-ylphosphonic acid is O=P(O)(O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylphosphonic acid?
The InChIKey is INHCGMROQQHCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9).
What are the key properties of cyclohex-3-en-1-ylphosphonic acid?
cyclohex-3-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-3-en-1-ylphosphonic acid is sourced from PubChem (CID 23415582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).