tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane

C25H42O3S2Si — CID 135010330

IUPACtert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCCOCc1ccccc1)CC1(C[C@H]2CO2)SCCCS1
InChIInChI=1S/C25H42O3S2Si/c1-24(2,3)31(4,5)28-22(13-9-14-26-19-21-11-7-6-8-12-21)17-25(18-23-20-27-23)29-15-10-16-30-25/h6-8,11-12,22-23H,9-10,13-20H2,1-5H3/t22-,23-/m0/s1
InChIKeyWESNDBPBFGHFBR-GOTSBHOMSA-N
MW482.83 g/mol
LogP7.12
Rot. Bonds12

About tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane (PubChem CID 135010330) has the molecular formula C25H42O3S2Si and a molecular weight of 482.83 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane
PubChem CID135010330
Molecular FormulaC25H42O3S2Si
Molecular Weight482.83 g/mol
Exact Mass482.23
IUPAC Nametert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCCOCc1ccccc1)CC1(C[C@H]2CO2)SCCCS1
InChIInChI=1S/C25H42O3S2Si/c1-24(2,3)31(4,5)28-22(13-9-14-26-19-21-11-7-6-8-12-21)17-25(18-23-20-27-23)29-15-10-16-30-25/h6-8,11-12,22-23H,9-10,13-20H2,1-5H3/t22-,23-/m0/s1
InChIKeyWESNDBPBFGHFBR-GOTSBHOMSA-N
XLogP7.12
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.83
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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
[1,3-Dithian-2-yl(phenyl)methoxy]-trimethylsilane
CID 11022916
(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
(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithian-2-yl)-6-phenylmethoxyhexan-2-ol
CID 11813902
tert-butyl-[(2R,5S)-6-(1,3-dithian-2-yl)-2-methyl-5-phenylmethoxyhexoxy]-diphenylsilane
CID 15700105
(1S)-2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-1,3-dithian-2-yl]-1-phenylethanol
CID 25135555

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane (CID 135010330) is tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H](CCCOCc1ccccc1)CC1(C[C@H]2CO2)SCCCS1.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane?
The InChIKey is WESNDBPBFGHFBR-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H42O3S2Si/c1-24(2,3)31(4,5)28-22(13-9-14-26-19-21-11-7-6-8-12-21)17-25(18-23-20-27-23)29-15-10-16-30-25/h6-8,11-12,22-23H,9-10,13-20H2,1-5H3/t22-,23-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane has a molecular weight of 482.83 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1-[2-[[(2S)-oxiran-2-yl]methyl]-1,3-dithian-2-yl]-5-phenylmethoxypentan-2-yl]oxysilane is sourced from PubChem (CID 135010330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).