[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate

C10H22O7P2 — CID 13144833

IUPAC[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate
SMILESCCOP(=O)(C/C(C)=C/OP(=O)(OC)OC)OCC
InChIInChI=1S/C10H22O7P2/c1-6-15-18(11,16-7-2)9-10(3)8-17-19(12,13-4)14-5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyFMVQRKRJVWZROV-CSKARUKUSA-N
MW316.23 g/mol
LogP3.57
Rot. Bonds10

About [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate

[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate (PubChem CID 13144833) has the molecular formula C10H22O7P2 and a molecular weight of 316.23 g/mol. Its IUPAC name is [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate.

Molecular Properties

Compound Name[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate
PubChem CID13144833
Molecular FormulaC10H22O7P2
Molecular Weight316.23 g/mol
Exact Mass316.08
IUPAC Name[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate
SMILESCCOP(=O)(C/C(C)=C/OP(=O)(OC)OC)OCC
InChIInChI=1S/C10H22O7P2/c1-6-15-18(11,16-7-2)9-10(3)8-17-19(12,13-4)14-5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyFMVQRKRJVWZROV-CSKARUKUSA-N
XLogP3.57
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate?
The IUPAC name of [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate (CID 13144833) is [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate.
What is the SMILES notation for [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate?
The canonical SMILES for [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate is CCOP(=O)(C/C(C)=C/OP(=O)(OC)OC)OCC.
What is the InChIKey of [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate?
The InChIKey is FMVQRKRJVWZROV-CSKARUKUSA-N. The full InChI is InChI=1S/C10H22O7P2/c1-6-15-18(11,16-7-2)9-10(3)8-17-19(12,13-4)14-5/h8H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate?
[(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate has a molecular weight of 316.23 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-diethoxyphosphoryl-2-methylprop-1-enyl] dimethyl phosphate is sourced from PubChem (CID 13144833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).