[[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate

C19H35O7PSi — CID 622884

IUPAC[[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate
SMILESCCO[Si](OCC)(OCC)OC(c1ccccc1)P(=O)(OCC)OC(C)(C)C
InChIInChI=1S/C19H35O7PSi/c1-8-21-27(20,26-19(5,6)7)18(17-15-13-12-14-16-17)25-28(22-9-2,23-10-3)24-11-4/h12-16,18H,8-11H2,1-7H3
InChIKeyWPPIATIKRONTQS-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.29
Rot. Bonds13

About [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate

[[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate (PubChem CID 622884) has the molecular formula C19H35O7PSi and a molecular weight of 434.54 g/mol. Its IUPAC name is [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate.

Molecular Properties

Compound Name[[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate
PubChem CID622884
Molecular FormulaC19H35O7PSi
Molecular Weight434.54 g/mol
Exact Mass434.19
IUPAC Name[[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate
SMILESCCO[Si](OCC)(OCC)OC(c1ccccc1)P(=O)(OCC)OC(C)(C)C
InChIInChI=1S/C19H35O7PSi/c1-8-21-27(20,26-19(5,6)7)18(17-15-13-12-14-16-17)25-28(22-9-2,23-10-3)24-11-4/h12-16,18H,8-11H2,1-7H3
InChIKeyWPPIATIKRONTQS-UHFFFAOYSA-N
XLogP5.29
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(diethoxyphosphoryl)methylbenzene
CID 11132243
triethyl [(1S)-1-phenylethyl] silicate
CID 102403172
[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane
CID 23420114
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane
CID 10568157
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
(1-diethoxyphosphoryl-2-nitropropyl)benzene
CID 10017727
(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
CID 129391567

Frequently Asked Questions

What is the IUPAC name of [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate?
The IUPAC name of [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate (CID 622884) is [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate.
What is the SMILES notation for [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate?
The canonical SMILES for [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate is CCO[Si](OCC)(OCC)OC(c1ccccc1)P(=O)(OCC)OC(C)(C)C.
What is the InChIKey of [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate?
The InChIKey is WPPIATIKRONTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O7PSi/c1-8-21-27(20,26-19(5,6)7)18(17-15-13-12-14-16-17)25-28(22-9-2,23-10-3)24-11-4/h12-16,18H,8-11H2,1-7H3.
What are the key properties of [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate?
[[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate has a molecular weight of 434.54 g/mol, XLogP of 5.29, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-phenylmethyl] triethyl silicate is sourced from PubChem (CID 622884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).