tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane

C17H31O5PSi — CID 91342581

IUPACtert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane
SMILESCOc1cc(CP(=O)(OC)OC)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31O5PSi/c1-13-10-14(12-23(18,20-6)21-7)11-15(19-5)16(13)22-24(8,9)17(2,3)4/h10-11H,12H2,1-9H3
InChIKeySPISCDCXODSZTR-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.37
Rot. Bonds7

About tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane

tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane (PubChem CID 91342581) has the molecular formula C17H31O5PSi and a molecular weight of 374.49 g/mol. Its IUPAC name is tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane
PubChem CID91342581
Molecular FormulaC17H31O5PSi
Molecular Weight374.49 g/mol
Exact Mass374.17
IUPAC Nametert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane
SMILESCOc1cc(CP(=O)(OC)OC)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31O5PSi/c1-13-10-14(12-23(18,20-6)21-7)11-15(19-5)16(13)22-24(8,9)17(2,3)4/h10-11H,12H2,1-9H3
InChIKeySPISCDCXODSZTR-UHFFFAOYSA-N
XLogP5.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid
CID 20634491
3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methylphenyl]-2-methylpropanal
CID 158140756
3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
CID 167727510
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
CID 10590949
2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine
CID 22018512
tert-butyl-[4-[1-diethoxyphosphoryl-2-(2-methyl-3-pyridinyl)ethyl]-2-methoxy-6-methylphenoxy]-dimethylsilane
CID 87872106
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol
CID 57349790
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
CID 126970735
tert-butyl-[2-(2,2-dibromoethenyl)-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane
CID 10552149

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane (CID 91342581) is tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane is COc1cc(CP(=O)(OC)OC)cc(C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane?
The InChIKey is SPISCDCXODSZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31O5PSi/c1-13-10-14(12-23(18,20-6)21-7)11-15(19-5)16(13)22-24(8,9)17(2,3)4/h10-11H,12H2,1-9H3.
What are the key properties of tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane?
tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane has a molecular weight of 374.49 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane is sourced from PubChem (CID 91342581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).