1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium

C5H8Cl2O3P+ — CID 23262847

IUPAC1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)OC(C)=C(Cl)Cl
InChIInChI=1S/C5H8Cl2O3P/c1-3-9-11(8)10-4(2)5(6)7/h3H2,1-2H3/q+1
InChIKeyWWFAJWUIEQXDQO-UHFFFAOYSA-N
MW218.00 g/mol
LogP3.36
Rot. Bonds4

About 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium

1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium (PubChem CID 23262847) has the molecular formula C5H8Cl2O3P+ and a molecular weight of 218.00 g/mol. Its IUPAC name is 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium.

Molecular Properties

Compound Name1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium
PubChem CID23262847
Molecular FormulaC5H8Cl2O3P+
Molecular Weight218.00 g/mol
Exact Mass216.96
IUPAC Name1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)OC(C)=C(Cl)Cl
InChIInChI=1S/C5H8Cl2O3P/c1-3-9-11(8)10-4(2)5(6)7/h3H2,1-2H3/q+1
InChIKeyWWFAJWUIEQXDQO-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.00
LogP ≤ 53.36
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

2,2-Dichloroethenyl methyl propyl phosphate
CID 199940
2,2-Dichloroethenyl methyl propan-2-yl phosphate
CID 199941
Butan-2-yl 2,2-dichloroethenyl methyl phosphate
CID 214938
Phosphoric acid, diethyl (1,3-difluoro-1,3,3-trichloroprop-1-en-2-yl) ester
CID 3035295
Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate
CID 306012
1,1-Dichloro-2-diethoxyphosphoryloxyprop-1-ene
CID 186625
diethyl [(E)-1,3,3-trichloro-1,3-difluoroprop-1-en-2-yl] phosphate
CID 44720119
diethyl [(Z)-1,3,3-trichloro-1,3-difluoroprop-1-en-2-yl] phosphate
CID 75061507
Cwjkfjkzwdkigt-uhfffaoysa-
CID 13377810
Diethyl trichloroethenyl phosphate
CID 13181457
1,1-Dichloroprop-1-en-2-yl methyl hydrogen phosphate
CID 20247963
1,1-Dichloroprop-1-en-2-yl dimethyl phosphate
CID 53911682

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium?
The IUPAC name of 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium (CID 23262847) is 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium.
What is the SMILES notation for 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium?
The canonical SMILES for 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium is CCO[P+](=O)OC(C)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium?
The InChIKey is WWFAJWUIEQXDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O3P/c1-3-9-11(8)10-4(2)5(6)7/h3H2,1-2H3/q+1.
What are the key properties of 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium?
1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium has a molecular weight of 218.00 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium is sourced from PubChem (CID 23262847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).