tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane

C23H38O3S2Si — CID 102505084

IUPACtert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](COCc1ccccc1)CC1(C[C@@H]2CO2)SCCCS1
InChIInChI=1S/C23H38O3S2Si/c1-22(2,3)29(4,5)26-21(17-24-16-19-10-7-6-8-11-19)15-23(14-20-18-25-20)27-12-9-13-28-23/h6-8,10-11,20-21H,9,12-18H2,1-5H3/t20-,21-/m1/s1
InChIKeyOAKGDGYAFDGBPA-NHCUHLMSSA-N
MW454.77 g/mol
LogP6.34
Rot. Bonds10

About tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane

tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane (PubChem CID 102505084) has the molecular formula C23H38O3S2Si and a molecular weight of 454.77 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane
PubChem CID102505084
Molecular FormulaC23H38O3S2Si
Molecular Weight454.77 g/mol
Exact Mass454.20
IUPAC Nametert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](COCc1ccccc1)CC1(C[C@@H]2CO2)SCCCS1
InChIInChI=1S/C23H38O3S2Si/c1-22(2,3)29(4,5)26-21(17-24-16-19-10-7-6-8-11-19)15-23(14-20-18-25-20)27-12-9-13-28-23/h6-8,10-11,20-21H,9,12-18H2,1-5H3/t20-,21-/m1/s1
InChIKeyOAKGDGYAFDGBPA-NHCUHLMSSA-N
XLogP6.34
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.77
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentyl]-1,3-dithian-2-yl]-5-trimethylsilylpent-4-yn-2-ol
CID 135010399
(8S,9S,10R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-ol
CID 10875413
(2S,4S)-1,5-bis[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]pentane-2,4-diol
CID 10898251
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane
CID 10917661
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-[2-[[(2S,6R)-4,4-dimethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-1,3-dithian-2-yl]-4-methylpentan-3-yl]oxy-dimethylsilane
CID 11018085
(2S,4R)-6-phenylmethoxy-1-(2-tributylstannyl-1,3-dithian-2-yl)hexane-2,4-diol
CID 11050449
(Z)-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-methylsulfanyl-4-methylsulfinyl-7-phenylmethoxyhept-1-en-3-ol
CID 11168727
(2S,4R)-1-[2-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenylmethoxypentyl]-1,3-dithian-2-yl]-4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoctan-2-ol
CID 11491353
[(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-6,10-dithiaspiro[4.5]decan-4-yl]methanol
CID 11503094
(2S)-2-[(1S,2S,3R)-4,4-bis(ethylsulfanyl)-1,2,3-tris(phenylmethoxy)butyl]oxirane
CID 11562892
(8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxy-1,5-dithiaspiro[5.5]undecan-8-ol
CID 11655106
(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithian-2-yl)-6-phenylmethoxyhexan-2-ol
CID 11813902

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane (CID 102505084) is tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H](COCc1ccccc1)CC1(C[C@@H]2CO2)SCCCS1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane?
The InChIKey is OAKGDGYAFDGBPA-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H38O3S2Si/c1-22(2,3)29(4,5)26-21(17-24-16-19-10-7-6-8-11-19)15-23(14-20-18-25-20)27-12-9-13-28-23/h6-8,10-11,20-21H,9,12-18H2,1-5H3/t20-,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane has a molecular weight of 454.77 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-1-[2-[[(2R)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-yl]oxysilane is sourced from PubChem (CID 102505084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).