[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate

C19H29O4PSi2 — CID 15829161

IUPAC[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate
SMILESC[Si](C)(C)C[Si](C)(C)COP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H29O4PSi2/c1-25(2,3)17-26(4,5)16-21-24(20,22-18-12-8-6-9-13-18)23-19-14-10-7-11-15-19/h6-15H,16-17H2,1-5H3
InChIKeyDKSQJVAVCLPTFM-UHFFFAOYSA-N
MW408.58 g/mol
LogP6.39
Rot. Bonds9

About [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate

[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate (PubChem CID 15829161) has the molecular formula C19H29O4PSi2 and a molecular weight of 408.58 g/mol. Its IUPAC name is [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate.

Molecular Properties

Compound Name[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate
PubChem CID15829161
Molecular FormulaC19H29O4PSi2
Molecular Weight408.58 g/mol
Exact Mass408.13
IUPAC Name[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate
SMILESC[Si](C)(C)C[Si](C)(C)COP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H29O4PSi2/c1-25(2,3)17-26(4,5)16-21-24(20,22-18-12-8-6-9-13-18)23-19-14-10-7-11-15-19/h6-15H,16-17H2,1-5H3
InChIKeyDKSQJVAVCLPTFM-UHFFFAOYSA-N
XLogP6.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
methoxymethyl diphenyl phosphate
CID 18345572
2-(dimethylamino)ethyl diphenyl phosphate
CID 169439172
triphenyl phosphate;hydrate
CID 66881958
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
hexyl diphenyl phosphate
CID 13389453
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
CID 3058504
CID 175741196
CID 175741196
diphenyl silyl phosphate
CID 71371486

Frequently Asked Questions

What is the IUPAC name of [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate?
The IUPAC name of [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate (CID 15829161) is [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate.
What is the SMILES notation for [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate?
The canonical SMILES for [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate is C[Si](C)(C)C[Si](C)(C)COP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate?
The InChIKey is DKSQJVAVCLPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29O4PSi2/c1-25(2,3)17-26(4,5)16-21-24(20,22-18-12-8-6-9-13-18)23-19-14-10-7-11-15-19/h6-15H,16-17H2,1-5H3.
What are the key properties of [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate?
[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate has a molecular weight of 408.58 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate is sourced from PubChem (CID 15829161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).