[4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite

C28H38O4P2Si — CID 102007550

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite
SMILESCCOP(OCC)Oc1ccc(O[Si](C)(C)C(C)(C)C)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38O4P2Si/c1-8-29-34(30-9-2)31-26-21-20-23(32-35(6,7)28(3,4)5)22-27(26)33(24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-22H,8-9H2,1-7H3
InChIKeyYCUVGWQJLSBFQA-UHFFFAOYSA-N
MW528.64 g/mol
LogP7.51
Rot. Bonds11

About [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite

[4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite (PubChem CID 102007550) has the molecular formula C28H38O4P2Si and a molecular weight of 528.64 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite
PubChem CID102007550
Molecular FormulaC28H38O4P2Si
Molecular Weight528.64 g/mol
Exact Mass528.20
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite
SMILESCCOP(OCC)Oc1ccc(O[Si](C)(C)C(C)(C)C)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38O4P2Si/c1-8-29-34(30-9-2)31-26-21-20-23(32-35(6,7)28(3,4)5)22-27(26)33(24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-22H,8-9H2,1-7H3
InChIKeyYCUVGWQJLSBFQA-UHFFFAOYSA-N
XLogP7.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 57.51
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

Tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane
CID 4961432
6,12-Dimethyl-12-phenyl-dibenzo[d,g]-[1,3,2,6]-dioxaphosphasilocine-6-sulfide
CID 14274425
12,12-Dimethyl-6-phenyl-dibenzo[d,g]-[1,3,2,6]-dioxaphosphasilocine-6-oxide
CID 14274429
12,12-Dimethyl-6-phenyl-dibenzo[d,g]-[1,3,2,6]-dioxaphosphasilocine
CID 14274434
2-(Diethoxyphosphoryl)phenyl diphenylphosphinate
CID 14837765
Phenylbis(o-(trimethyl-siloxy)phenyl)phosphane
CID 15491689
Diphenyl{2-[(trimethylsilyl)oxy]phenyl}phosphane
CID 15524852
[Tert-butyl(dimethyl)silyl] diphenyl phosphite
CID 134853847
[5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexa-1,5-dien-1-yl] diphenyl phosphate
CID 135050669
Diphenoxyphosphorylmethoxy(trimethyl)silane
CID 162418614
Tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]peroxyphenoxy]-dimethylsilane
CID 176435663
Ditert-butyl-bis[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]silane
CID 176435673

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite (CID 102007550) is [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite is CCOP(OCC)Oc1ccc(O[Si](C)(C)C(C)(C)C)cc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite?
The InChIKey is YCUVGWQJLSBFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O4P2Si/c1-8-29-34(30-9-2)31-26-21-20-23(32-35(6,7)28(3,4)5)22-27(26)33(24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-22H,8-9H2,1-7H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite?
[4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite has a molecular weight of 528.64 g/mol, XLogP of 7.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-2-diphenylphosphanylphenyl] diethyl phosphite is sourced from PubChem (CID 102007550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).