[(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate

C14H22O7P2 — CID 102305942

IUPAC[(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(/C(C)=C/c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H22O7P2/c1-12(11-13-9-7-6-8-10-13)14(22(15,17-2)18-3)21-23(16,19-4)20-5/h6-11,14H,1-5H3/b12-11+
InChIKeyUCLCOUIFBLMYGB-VAWYXSNFSA-N
MW364.27 g/mol
LogP4.32
Rot. Bonds9

About [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate

[(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate (PubChem CID 102305942) has the molecular formula C14H22O7P2 and a molecular weight of 364.27 g/mol. Its IUPAC name is [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate.

Molecular Properties

Compound Name[(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate
PubChem CID102305942
Molecular FormulaC14H22O7P2
Molecular Weight364.27 g/mol
Exact Mass364.08
IUPAC Name[(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(/C(C)=C/c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H22O7P2/c1-12(11-13-9-7-6-8-10-13)14(22(15,17-2)18-3)21-23(16,19-4)20-5/h6-11,14H,1-5H3/b12-11+
InChIKeyUCLCOUIFBLMYGB-VAWYXSNFSA-N
XLogP4.32
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-dimethoxyphosphoryl-2-phenylethenol
CID 14736137
[(2R)-3-methyl-4-phenylbut-3-en-2-yl] acetate
CID 57372595
2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 166442123
(2S)-2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 125471761
dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 132992304
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
CID 13214341
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099
1,2-diphenylethenyl dihydrogen phosphate
CID 57178972
[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate
CID 71682922
(2Z,4S,5Z)-4,5-dimethyl-6-phenylhexa-2,5-dienal
CID 142809063
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
CID 10703917

Frequently Asked Questions

What is the IUPAC name of [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate?
The IUPAC name of [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate (CID 102305942) is [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate.
What is the SMILES notation for [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate?
The canonical SMILES for [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate is COP(=O)(OC)OC(/C(C)=C/c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate?
The InChIKey is UCLCOUIFBLMYGB-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H22O7P2/c1-12(11-13-9-7-6-8-10-13)14(22(15,17-2)18-3)21-23(16,19-4)20-5/h6-11,14H,1-5H3/b12-11+.
What are the key properties of [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate?
[(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate has a molecular weight of 364.27 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate is sourced from PubChem (CID 102305942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).