cyclohexen-1-yl(ethyl)phosphinic acid

C8H15O2P — CID 23418944

IUPACcyclohexen-1-yl(ethyl)phosphinic acid
SMILESCCP(=O)(O)C1=CCCCC1
InChIInChI=1S/C8H15O2P/c1-2-11(9,10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3,(H,9,10)
InChIKeyBURVQCZZAGYTNN-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.73
Rot. Bonds2

About cyclohexen-1-yl(ethyl)phosphinic acid

cyclohexen-1-yl(ethyl)phosphinic acid (PubChem CID 23418944) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is cyclohexen-1-yl(ethyl)phosphinic acid.

Molecular Properties

Compound Namecyclohexen-1-yl(ethyl)phosphinic acid
PubChem CID23418944
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Namecyclohexen-1-yl(ethyl)phosphinic acid
SMILESCCP(=O)(O)C1=CCCCC1
InChIInChI=1S/C8H15O2P/c1-2-11(9,10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3,(H,9,10)
InChIKeyBURVQCZZAGYTNN-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-yl(ethyl)phosphinic acid?
The IUPAC name of cyclohexen-1-yl(ethyl)phosphinic acid (CID 23418944) is cyclohexen-1-yl(ethyl)phosphinic acid.
What is the SMILES notation for cyclohexen-1-yl(ethyl)phosphinic acid?
The canonical SMILES for cyclohexen-1-yl(ethyl)phosphinic acid is CCP(=O)(O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl(ethyl)phosphinic acid?
The InChIKey is BURVQCZZAGYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c1-2-11(9,10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3,(H,9,10).
What are the key properties of cyclohexen-1-yl(ethyl)phosphinic acid?
cyclohexen-1-yl(ethyl)phosphinic acid has a molecular weight of 174.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(ethyl)phosphinic acid is sourced from PubChem (CID 23418944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).