2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane

C8H15Cl2O3P — CID 135080812

IUPAC2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)/C(Cl)=C\Cl
InChIInChI=1S/C8H15Cl2O3P/c1-6(2)12-14(11,8(10)5-9)13-7(3)4/h5-7H,1-4H3/b8-5-
InChIKeyOOHMQDFSCIYQDG-YVMONPNESA-N
MW261.08 g/mol
LogP4.31
Rot. Bonds5

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

2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 135080812) has the molecular formula C8H15Cl2O3P and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID135080812
Molecular FormulaC8H15Cl2O3P
Molecular Weight261.08 g/mol
Exact Mass260.01
IUPAC Name2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)/C(Cl)=C\Cl
InChIInChI=1S/C8H15Cl2O3P/c1-6(2)12-14(11,8(10)5-9)13-7(3)4/h5-7H,1-4H3/b8-5-
InChIKeyOOHMQDFSCIYQDG-YVMONPNESA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane (CID 135080812) is 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)/C(Cl)=C\Cl.
What is the InChIKey of 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is OOHMQDFSCIYQDG-YVMONPNESA-N. The full InChI is InChI=1S/C8H15Cl2O3P/c1-6(2)12-14(11,8(10)5-9)13-7(3)4/h5-7H,1-4H3/b8-5-.
What are the key properties of 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 261.08 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 135080812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).