ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate

C22H41O5PSi — CID 168825886

IUPACditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate
SMILESCC(C)(C)OP(=O)(OCc1ccccc1CO[Si](C)(C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C22H41O5PSi/c1-20(2,3)26-28(23,27-21(4,5)6)24-16-18-14-12-13-15-19(18)17-25-29(10,11)22(7,8)9/h12-15H,16-17H2,1-11H3
InChIKeyHUXNTPCGXYHYBH-UHFFFAOYSA-N
MW444.63 g/mol
LogP7.46
Rot. Bonds8

About ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate

ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate (PubChem CID 168825886) has the molecular formula C22H41O5PSi and a molecular weight of 444.63 g/mol. Its IUPAC name is ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate.

Molecular Properties

Compound Nameditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate
PubChem CID168825886
Molecular FormulaC22H41O5PSi
Molecular Weight444.63 g/mol
Exact Mass444.25
IUPAC Nameditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate
SMILESCC(C)(C)OP(=O)(OCc1ccccc1CO[Si](C)(C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C22H41O5PSi/c1-20(2,3)26-28(23,27-21(4,5)6)24-16-18-14-12-13-15-19(18)17-25-29(10,11)22(7,8)9/h12-15H,16-17H2,1-11H3
InChIKeyHUXNTPCGXYHYBH-UHFFFAOYSA-N
XLogP7.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.63
LogP ≤ 57.46
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

2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]benzoic acid
CID 168825865
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
ditert-butyl (2-ethyl-4-hydroxyphenyl)methyl phosphate
CID 139720617
tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane
CID 11110861
tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane
CID 22559339
ditert-butyl [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] phosphate
CID 59283202
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
CID 11100219
(E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(trimethylsilylmethyl)methanimine
CID 14687071
N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide
CID 175702586
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
CID 59859472

Frequently Asked Questions

What is the IUPAC name of ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate?
The IUPAC name of ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate (CID 168825886) is ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate.
What is the SMILES notation for ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate?
The canonical SMILES for ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate is CC(C)(C)OP(=O)(OCc1ccccc1CO[Si](C)(C)C(C)(C)C)OC(C)(C)C.
What is the InChIKey of ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate?
The InChIKey is HUXNTPCGXYHYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41O5PSi/c1-20(2,3)26-28(23,27-21(4,5)6)24-16-18-14-12-13-15-19(18)17-25-29(10,11)22(7,8)9/h12-15H,16-17H2,1-11H3.
What are the key properties of ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate?
ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate has a molecular weight of 444.63 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate is sourced from PubChem (CID 168825886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).