(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene

C5H9Cl2O3P — CID 15564785

IUPAC(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene
SMILESCOP(=O)(OC)/C(=C/Cl)CCl
InChIInChI=1S/C5H9Cl2O3P/c1-9-11(8,10-2)5(3-6)4-7/h3H,4H2,1-2H3/b5-3+
InChIKeySVSHTOUMTLZCBF-HWKANZROSA-N
MW219.00 g/mol
LogP2.79
Rot. Bonds4

About (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene

(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene (PubChem CID 15564785) has the molecular formula C5H9Cl2O3P and a molecular weight of 219.00 g/mol. Its IUPAC name is (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene
PubChem CID15564785
Molecular FormulaC5H9Cl2O3P
Molecular Weight219.00 g/mol
Exact Mass217.97
IUPAC Name(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene
SMILESCOP(=O)(OC)/C(=C/Cl)CCl
InChIInChI=1S/C5H9Cl2O3P/c1-9-11(8,10-2)5(3-6)4-7/h3H,4H2,1-2H3/b5-3+
InChIKeySVSHTOUMTLZCBF-HWKANZROSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.00
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene?
The IUPAC name of (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene (CID 15564785) is (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene.
What is the SMILES notation for (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene?
The canonical SMILES for (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene is COP(=O)(OC)/C(=C/Cl)CCl.
What is the InChIKey of (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene?
The InChIKey is SVSHTOUMTLZCBF-HWKANZROSA-N. The full InChI is InChI=1S/C5H9Cl2O3P/c1-9-11(8,10-2)5(3-6)4-7/h3H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene?
(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene has a molecular weight of 219.00 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene is sourced from PubChem (CID 15564785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).