dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane

C9H9Cl8O3P — CID 12548566

IUPACdichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane
SMILESCC(OP(Cl)(Cl)(OC(C)=C(Cl)Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C9H9Cl8O3P/c1-4(7(10)11)18-21(16,17,19-5(2)8(12)13)20-6(3)9(14)15/h1-3H3
InChIKeyMGUIVGSUDWLANW-UHFFFAOYSA-N
MW479.77 g/mol
LogP8.64
Rot. Bonds6

About dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane

dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane (PubChem CID 12548566) has the molecular formula C9H9Cl8O3P and a molecular weight of 479.77 g/mol. Its IUPAC name is dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane.

Molecular Properties

Compound Namedichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane
PubChem CID12548566
Molecular FormulaC9H9Cl8O3P
Molecular Weight479.77 g/mol
Exact Mass475.78
IUPAC Namedichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane
SMILESCC(OP(Cl)(Cl)(OC(C)=C(Cl)Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C9H9Cl8O3P/c1-4(7(10)11)18-21(16,17,19-5(2)8(12)13)20-6(3)9(14)15/h1-3H3
InChIKeyMGUIVGSUDWLANW-UHFFFAOYSA-N
XLogP8.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.77
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane?
The IUPAC name of dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane (CID 12548566) is dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane.
What is the SMILES notation for dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane?
The canonical SMILES for dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane is CC(OP(Cl)(Cl)(OC(C)=C(Cl)Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl.
What is the InChIKey of dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane?
The InChIKey is MGUIVGSUDWLANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl8O3P/c1-4(7(10)11)18-21(16,17,19-5(2)8(12)13)20-6(3)9(14)15/h1-3H3.
What are the key properties of dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane?
dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane has a molecular weight of 479.77 g/mol, XLogP of 8.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-tris(1,1-dichloroprop-1-en-2-yloxy)-λ5-phosphane is sourced from PubChem (CID 12548566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).