1-cyclohexylethoxy(prop-2-enyl)phosphinic acid

C11H21O3P — CID 174783911

IUPAC1-cyclohexylethoxy(prop-2-enyl)phosphinic acid
SMILESC=CCP(=O)(O)OC(C)C1CCCCC1
InChIInChI=1S/C11H21O3P/c1-3-9-15(12,13)14-10(2)11-7-5-4-6-8-11/h3,10-11H,1,4-9H2,2H3,(H,12,13)
InChIKeyQDLBQIPOWWXFKI-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.34
Rot. Bonds5

About 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid

1-cyclohexylethoxy(prop-2-enyl)phosphinic acid (PubChem CID 174783911) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid.

Molecular Properties

Compound Name1-cyclohexylethoxy(prop-2-enyl)phosphinic acid
PubChem CID174783911
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name1-cyclohexylethoxy(prop-2-enyl)phosphinic acid
SMILESC=CCP(=O)(O)OC(C)C1CCCCC1
InChIInChI=1S/C11H21O3P/c1-3-9-15(12,13)14-10(2)11-7-5-4-6-8-11/h3,10-11H,1,4-9H2,2H3,(H,12,13)
InChIKeyQDLBQIPOWWXFKI-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid?
The IUPAC name of 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid (CID 174783911) is 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid.
What is the SMILES notation for 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid?
The canonical SMILES for 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid is C=CCP(=O)(O)OC(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid?
The InChIKey is QDLBQIPOWWXFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-3-9-15(12,13)14-10(2)11-7-5-4-6-8-11/h3,10-11H,1,4-9H2,2H3,(H,12,13).
What are the key properties of 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid?
1-cyclohexylethoxy(prop-2-enyl)phosphinic acid has a molecular weight of 232.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethoxy(prop-2-enyl)phosphinic acid is sourced from PubChem (CID 174783911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).