[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate

C17H31O5PSi — CID 59859472

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H31O5PSi/c1-8-19-23(18,20-9-2)22-16-12-10-15(11-13-16)14-21-24(6,7)17(3,4)5/h10-13H,8-9,14H2,1-7H3
InChIKeyYYBPTPOXSWMVFT-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.77
Rot. Bonds9

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate (PubChem CID 59859472) has the molecular formula C17H31O5PSi and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
PubChem CID59859472
Molecular FormulaC17H31O5PSi
Molecular Weight374.49 g/mol
Exact Mass374.17
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H31O5PSi/c1-8-19-23(18,20-9-2)22-16-12-10-15(11-13-16)14-21-24(6,7)17(3,4)5/h10-13H,8-9,14H2,1-7H3
InChIKeyYYBPTPOXSWMVFT-UHFFFAOYSA-N
XLogP5.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.77
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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Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate (CID 59859472) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate is CCOP(=O)(OCC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate?
The InChIKey is YYBPTPOXSWMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31O5PSi/c1-8-19-23(18,20-9-2)22-16-12-10-15(11-13-16)14-21-24(6,7)17(3,4)5/h10-13H,8-9,14H2,1-7H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate has a molecular weight of 374.49 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate is sourced from PubChem (CID 59859472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).