1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane

C6H10Cl5O3P — CID 142627107

IUPAC1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane
SMILESO=P(Cl)(OCCC(Cl)Cl)OCCC(Cl)Cl
InChIInChI=1S/C6H10Cl5O3P/c7-5(8)1-3-13-15(11,12)14-4-2-6(9)10/h5-6H,1-4H2
InChIKeySJGBZVIREMIXKX-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.75
Rot. Bonds8

About 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane

1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane (PubChem CID 142627107) has the molecular formula C6H10Cl5O3P and a molecular weight of 338.38 g/mol. Its IUPAC name is 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane
PubChem CID142627107
Molecular FormulaC6H10Cl5O3P
Molecular Weight338.38 g/mol
Exact Mass335.88
IUPAC Name1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane
SMILESO=P(Cl)(OCCC(Cl)Cl)OCCC(Cl)Cl
InChIInChI=1S/C6H10Cl5O3P/c7-5(8)1-3-13-15(11,12)14-4-2-6(9)10/h5-6H,1-4H2
InChIKeySJGBZVIREMIXKX-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane
CID 139367377
2-[chloro(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylsilane
CID 11666839
2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane
CID 15502709
1-[butoxy(chloro)phosphoryl]oxybutane;2-[chloro(propan-2-yloxy)phosphoryl]oxypropane
CID 88815349
3,3-dichloropropylphosphonic acid
CID 91996618
8-[[chloro(2-heptylundecoxy)phosphoryl]oxymethyl]heptadecane
CID 11072206
1-dichlorophosphoryloxy-2-ethoxyethane
CID 12585942
3,5,5-trimethylhexoxy(3,5,5-trimethylhexyl)phosphinic acid
CID 57284798
1,1,6,6-tetrachlorohexane
CID 87407260
chlorosilane;3,3-dichloropropyl prop-2-enoate
CID 173094575
CID 88751239
CID 88751239
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane?
The IUPAC name of 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane (CID 142627107) is 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane?
The canonical SMILES for 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane is O=P(Cl)(OCCC(Cl)Cl)OCCC(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane?
The InChIKey is SJGBZVIREMIXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl5O3P/c7-5(8)1-3-13-15(11,12)14-4-2-6(9)10/h5-6H,1-4H2.
What are the key properties of 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane?
1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane has a molecular weight of 338.38 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane is sourced from PubChem (CID 142627107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).