1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid

C6H9Cl2O3P — CID 88762004

IUPAC1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid
SMILESC=CCP(=O)(O)OC(C)=C(Cl)Cl
InChIInChI=1S/C6H9Cl2O3P/c1-3-4-12(9,10)11-5(2)6(7)8/h3H,1,4H2,2H3,(H,9,10)
InChIKeyMQHBZOWVKPRQDC-UHFFFAOYSA-N
MW231.01 g/mol
LogP3.04
Rot. Bonds4

About 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid

1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid (PubChem CID 88762004) has the molecular formula C6H9Cl2O3P and a molecular weight of 231.01 g/mol. Its IUPAC name is 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid.

Molecular Properties

Compound Name1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid
PubChem CID88762004
Molecular FormulaC6H9Cl2O3P
Molecular Weight231.01 g/mol
Exact Mass229.97
IUPAC Name1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid
SMILESC=CCP(=O)(O)OC(C)=C(Cl)Cl
InChIInChI=1S/C6H9Cl2O3P/c1-3-4-12(9,10)11-5(2)6(7)8/h3H,1,4H2,2H3,(H,9,10)
InChIKeyMQHBZOWVKPRQDC-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.01
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid?
The IUPAC name of 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid (CID 88762004) is 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid.
What is the SMILES notation for 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid?
The canonical SMILES for 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid is C=CCP(=O)(O)OC(C)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid?
The InChIKey is MQHBZOWVKPRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2O3P/c1-3-4-12(9,10)11-5(2)6(7)8/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid?
1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid has a molecular weight of 231.01 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid is sourced from PubChem (CID 88762004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).