1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene

C6H6Cl5O3P — CID 12769893

IUPAC1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESCC(OP(=O)(Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C6H6Cl5O3P/c1-3(5(7)8)13-15(11,12)14-4(2)6(9)10/h1-2H3
InChIKeyFWUZHLWDLHGQJZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.70
Rot. Bonds4

About 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene

1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene (PubChem CID 12769893) has the molecular formula C6H6Cl5O3P and a molecular weight of 334.35 g/mol. Its IUPAC name is 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
PubChem CID12769893
Molecular FormulaC6H6Cl5O3P
Molecular Weight334.35 g/mol
Exact Mass331.85
IUPAC Name1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESCC(OP(=O)(Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl
InChIInChI=1S/C6H6Cl5O3P/c1-3(5(7)8)13-15(11,12)14-4(2)6(9)10/h1-2H3
InChIKeyFWUZHLWDLHGQJZ-UHFFFAOYSA-N
XLogP5.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 55.70
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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Related Compounds

1,1-Dichloroprop-1-en-2-yl methyl hydrogen phosphate
CID 20247963
1,1-Dichloroprop-1-en-2-yl dimethyl phosphate
CID 53911682
1,1-Dichlorobut-1-en-2-yloxy-hydroxy-oxophosphanium
CID 88832311
1,1-Dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium
CID 88832854
Tris(1,1-dichloroprop-1-en-2-yl) phosphite
CID 12548565
Chloro-bis(1,1-dichloroprop-1-en-2-yloxy)phosphane
CID 12769888
Tris(1,1-dichloroprop-1-en-2-yl) phosphate
CID 12769892
1,1-Dichloro-2-dichlorophosphoryloxyprop-1-ene
CID 12769894
1,1-Dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene
CID 23260913
1,1-Dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium
CID 23262847

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene (CID 12769893) is 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene is CC(OP(=O)(Cl)OC(C)=C(Cl)Cl)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The InChIKey is FWUZHLWDLHGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl5O3P/c1-3(5(7)8)13-15(11,12)14-4(2)6(9)10/h1-2H3.
What are the key properties of 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene has a molecular weight of 334.35 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 12769893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).