tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane

C18H33O4PSi — CID 42600508

IUPACtert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
SMILESCCOP(=O)(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)OCC
InChIInChI=1S/C18H33O4PSi/c1-8-20-23(19,21-9-2)15-17-12-10-16(11-13-17)14-22-24(6,7)18(3,4)5/h10-13H,8-9,14-15H2,1-7H3
InChIKeyHBTICVSAKOCIPO-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.97
Rot. Bonds9

About tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane (PubChem CID 42600508) has the molecular formula C18H33O4PSi and a molecular weight of 372.52 g/mol. Its IUPAC name is tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
PubChem CID42600508
Molecular FormulaC18H33O4PSi
Molecular Weight372.52 g/mol
Exact Mass372.19
IUPAC Nametert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
SMILESCCOP(=O)(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)OCC
InChIInChI=1S/C18H33O4PSi/c1-8-20-23(19,21-9-2)15-17-12-10-16(11-13-17)14-22-24(6,7)18(3,4)5/h10-13H,8-9,14-15H2,1-7H3
InChIKeyHBTICVSAKOCIPO-UHFFFAOYSA-N
XLogP5.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.97
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

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
CID 59859472
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
butane;[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-(diethoxyphosphorylmethyl)phenyl]methoxy-hydroxy-oxophosphanium
CID 87575124
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
CID 162121800
ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
CID 67588790
3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one
CID 159300153

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane (CID 42600508) is tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane is CCOP(=O)(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)OCC.
What is the InChIKey of tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane?
The InChIKey is HBTICVSAKOCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O4PSi/c1-8-20-23(19,21-9-2)15-17-12-10-16(11-13-17)14-22-24(6,7)18(3,4)5/h10-13H,8-9,14-15H2,1-7H3.
What are the key properties of tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane has a molecular weight of 372.52 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 42600508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).