1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane

C8H15Cl2O3P — CID 135080737

IUPAC1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)/C(Cl)=C\Cl
InChIInChI=1S/C8H15Cl2O3P/c1-3-5-12-14(11,8(10)7-9)13-6-4-2/h7H,3-6H2,1-2H3/b8-7-
InChIKeyKOQJPQSHRTZKGR-FPLPWBNLSA-N
MW261.08 g/mol
LogP4.31
Rot. Bonds7

About 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane

1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane (PubChem CID 135080737) has the molecular formula C8H15Cl2O3P and a molecular weight of 261.08 g/mol. Its IUPAC name is 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane.

Molecular Properties

Compound Name1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane
PubChem CID135080737
Molecular FormulaC8H15Cl2O3P
Molecular Weight261.08 g/mol
Exact Mass260.01
IUPAC Name1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)/C(Cl)=C\Cl
InChIInChI=1S/C8H15Cl2O3P/c1-3-5-12-14(11,8(10)7-9)13-6-4-2/h7H,3-6H2,1-2H3/b8-7-
InChIKeyKOQJPQSHRTZKGR-FPLPWBNLSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane?
The IUPAC name of 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane (CID 135080737) is 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane.
What is the SMILES notation for 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane?
The canonical SMILES for 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane is CCCOP(=O)(OCCC)/C(Cl)=C\Cl.
What is the InChIKey of 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane?
The InChIKey is KOQJPQSHRTZKGR-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15Cl2O3P/c1-3-5-12-14(11,8(10)7-9)13-6-4-2/h7H,3-6H2,1-2H3/b8-7-.
What are the key properties of 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane?
1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane has a molecular weight of 261.08 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane is sourced from PubChem (CID 135080737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).