chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane

C6H6Cl5O2P — CID 12769888

IUPACchloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane
SMILESCC(OP(Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C6H6Cl5O2P/c1-3(5(7)8)12-14(11)13-4(2)6(9)10/h1-2H3
InChIKeyGZDBGKZRNWXHML-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.82
Rot. Bonds4

About chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane

chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane (PubChem CID 12769888) has the molecular formula C6H6Cl5O2P and a molecular weight of 318.35 g/mol. Its IUPAC name is chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane.

Molecular Properties

Compound Namechloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane
PubChem CID12769888
Molecular FormulaC6H6Cl5O2P
Molecular Weight318.35 g/mol
Exact Mass315.85
IUPAC Namechloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane
SMILESCC(OP(Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C6H6Cl5O2P/c1-3(5(7)8)12-14(11)13-4(2)6(9)10/h1-2H3
InChIKeyGZDBGKZRNWXHML-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane?
The IUPAC name of chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane (CID 12769888) is chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane.
What is the SMILES notation for chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane?
The canonical SMILES for chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane is CC(OP(Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl.
What is the InChIKey of chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane?
The InChIKey is GZDBGKZRNWXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl5O2P/c1-3(5(7)8)12-14(11)13-4(2)6(9)10/h1-2H3.
What are the key properties of chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane?
chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane has a molecular weight of 318.35 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane is sourced from PubChem (CID 12769888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).