(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one

C32H42O3Si2 — CID 86757468

IUPAC(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one
SMILESCC(C)(C)[Si](Oc1cccc(C[C@]2(O[Si](C)(C)C)CCCCC2=O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O3Si2/c1-31(2,3)37(28-18-9-7-10-19-28,29-20-11-8-12-21-29)34-27-17-15-16-26(24-27)25-32(35-36(4,5)6)23-14-13-22-30(32)33/h7-12,15-21,24H,13-14,22-23,25H2,1-6H3/t32-/m1/s1
InChIKeyAUOAZNATALJXGI-JGCGQSQUSA-N
MW530.86 g/mol
LogP6.90
Rot. Bonds8

About (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one

(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one (PubChem CID 86757468) has the molecular formula C32H42O3Si2 and a molecular weight of 530.86 g/mol. Its IUPAC name is (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one
PubChem CID86757468
Molecular FormulaC32H42O3Si2
Molecular Weight530.86 g/mol
Exact Mass530.27
IUPAC Name(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one
SMILESCC(C)(C)[Si](Oc1cccc(C[C@]2(O[Si](C)(C)C)CCCCC2=O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O3Si2/c1-31(2,3)37(28-18-9-7-10-19-28,29-20-11-8-12-21-29)34-27-17-15-16-26(24-27)25-32(35-36(4,5)6)23-14-13-22-30(32)33/h7-12,15-21,24H,13-14,22-23,25H2,1-6H3/t32-/m1/s1
InChIKeyAUOAZNATALJXGI-JGCGQSQUSA-N
XLogP6.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.86
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol
CID 20691703
2-benzyl-2-methoxycyclohexan-1-one
CID 11806160
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione
CID 101342746
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
3-[6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroinden-1-yl]prop-2-enal
CID 173311465
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane
CID 22163045
prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate
CID 24827824

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one (CID 86757468) is (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one is CC(C)(C)[Si](Oc1cccc(C[C@]2(O[Si](C)(C)C)CCCCC2=O)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one?
The InChIKey is AUOAZNATALJXGI-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H42O3Si2/c1-31(2,3)37(28-18-9-7-10-19-28,29-20-11-8-12-21-29)34-27-17-15-16-26(24-27)25-32(35-36(4,5)6)23-14-13-22-30(32)33/h7-12,15-21,24H,13-14,22-23,25H2,1-6H3/t32-/m1/s1.
What are the key properties of (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one?
(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one has a molecular weight of 530.86 g/mol, XLogP of 6.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 86757468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).