tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane

C28H34O2Si — CID 102506117

IUPACtert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
SMILESCC(C)(C)[Si](C[C@H]1C[C@@H](COCc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O2Si/c1-28(2,3)31(26-15-9-5-10-16-26,27-17-11-6-12-18-27)22-25-19-24(30-25)21-29-20-23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3/t24-,25+/m0/s1
InChIKeyPLOXYBTVIDIHQY-LOSJGSFVSA-N
MW430.66 g/mol
LogP5.42
Rot. Bonds8

About tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane

tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane (PubChem CID 102506117) has the molecular formula C28H34O2Si and a molecular weight of 430.66 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
PubChem CID102506117
Molecular FormulaC28H34O2Si
Molecular Weight430.66 g/mol
Exact Mass430.23
IUPAC Nametert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
SMILESCC(C)(C)[Si](C[C@H]1C[C@@H](COCc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O2Si/c1-28(2,3)31(26-15-9-5-10-16-26,27-17-11-6-12-18-27)22-25-19-24(30-25)21-29-20-23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3/t24-,25+/m0/s1
InChIKeyPLOXYBTVIDIHQY-LOSJGSFVSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane
CID 102506110
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
(1R,2R,4S,6R)-2-methoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 10955968
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
tert-butyl-[[(2R,4S,5S,6R)-4,5-dibromo-6-(phenylmethoxymethyl)oxan-2-yl]methoxy]-dimethylsilane
CID 10505813
tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
CID 45379868
dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane
CID 100983522
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane?
The IUPAC name of tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane (CID 102506117) is tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane is CC(C)(C)[Si](C[C@H]1C[C@@H](COCc2ccccc2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane?
The InChIKey is PLOXYBTVIDIHQY-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H34O2Si/c1-28(2,3)31(26-15-9-5-10-16-26,27-17-11-6-12-18-27)22-25-19-24(30-25)21-29-20-23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3/t24-,25+/m0/s1.
What are the key properties of tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane?
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane has a molecular weight of 430.66 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane is sourced from PubChem (CID 102506117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).