tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane

C32H51O3PSi2 — CID 71148978

IUPACtert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(O[Si](C)(C)C(C)(C)C)C(=C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-30(35-38(9,10)32(4,5)6)29(26-20-14-11-15-21-26)36(33,27-22-16-12-17-23-27)28-24-18-13-19-25-28/h12-13,16-19,22-25,30H,11,14-15,20-21H2,1-10H3
InChIKeyJDRRQBXXEUQEJC-UHFFFAOYSA-N
MW570.90 g/mol
LogP9.59
Rot. Bonds8

About tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane

tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane (PubChem CID 71148978) has the molecular formula C32H51O3PSi2 and a molecular weight of 570.90 g/mol. Its IUPAC name is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane
PubChem CID71148978
Molecular FormulaC32H51O3PSi2
Molecular Weight570.90 g/mol
Exact Mass570.31
IUPAC Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(O[Si](C)(C)C(C)(C)C)C(=C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-30(35-38(9,10)32(4,5)6)29(26-20-14-11-15-21-26)36(33,27-22-16-12-17-23-27)28-24-18-13-19-25-28/h12-13,16-19,22-25,30H,11,14-15,20-21H2,1-10H3
InChIKeyJDRRQBXXEUQEJC-UHFFFAOYSA-N
XLogP9.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.90
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane
CID 101227507
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
CID 24813675
1-diphenylphosphoryl-1-(1,3-dithiolan-2-ylidene)-3,3-dimethylbutan-2-ol
CID 134878064
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoic acid
CID 87454435
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 140746850
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
[(3-cyclohexylidene-3-phenylsulfanylprop-1-en-2-yl)-phenylphosphoryl]benzene
CID 138984119
[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 174911876
(E,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]hex-4-enoic acid
CID 15049425
(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one
CID 102079562
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane (CID 71148978) is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC(O[Si](C)(C)C(C)(C)C)C(=C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane?
The InChIKey is JDRRQBXXEUQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-30(35-38(9,10)32(4,5)6)29(26-20-14-11-15-21-26)36(33,27-22-16-12-17-23-27)28-24-18-13-19-25-28/h12-13,16-19,22-25,30H,11,14-15,20-21H2,1-10H3.
What are the key properties of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane?
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane has a molecular weight of 570.90 g/mol, XLogP of 9.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylidene-2-diphenylphosphorylethoxy]-dimethylsilane is sourced from PubChem (CID 71148978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).