cyclohexen-1-ylphosphonous acid

C6H11O2P — CID 56626979

IUPACcyclohexen-1-ylphosphonous acid
SMILESOP(O)C1=CCCCC1
InChIInChI=1S/C6H11O2P/c7-9(8)6-4-2-1-3-5-6/h4,7-8H,1-3,5H2
InChIKeyHKASZXAVEPHNGW-UHFFFAOYSA-N
MW146.13 g/mol
LogP1.74
Rot. Bonds1

About cyclohexen-1-ylphosphonous acid

cyclohexen-1-ylphosphonous acid (PubChem CID 56626979) has the molecular formula C6H11O2P and a molecular weight of 146.13 g/mol. Its IUPAC name is cyclohexen-1-ylphosphonous acid.

Molecular Properties

Compound Namecyclohexen-1-ylphosphonous acid
PubChem CID56626979
Molecular FormulaC6H11O2P
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Namecyclohexen-1-ylphosphonous acid
SMILESOP(O)C1=CCCCC1
InChIInChI=1S/C6H11O2P/c7-9(8)6-4-2-1-3-5-6/h4,7-8H,1-3,5H2
InChIKeyHKASZXAVEPHNGW-UHFFFAOYSA-N
XLogP1.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ylphosphonous acid?
The IUPAC name of cyclohexen-1-ylphosphonous acid (CID 56626979) is cyclohexen-1-ylphosphonous acid.
What is the SMILES notation for cyclohexen-1-ylphosphonous acid?
The canonical SMILES for cyclohexen-1-ylphosphonous acid is OP(O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylphosphonous acid?
The InChIKey is HKASZXAVEPHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P/c7-9(8)6-4-2-1-3-5-6/h4,7-8H,1-3,5H2.
What are the key properties of cyclohexen-1-ylphosphonous acid?
cyclohexen-1-ylphosphonous acid has a molecular weight of 146.13 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylphosphonous acid is sourced from PubChem (CID 56626979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).