(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol

C32H42O2S2Si — CID 101208323

IUPAC(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol
SMILESCC(C)(C)[Si](OCC[C@H](O)CC1(CCc2ccccc2)SCCCS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O2S2Si/c1-31(2,3)37(29-16-9-5-10-17-29,30-18-11-6-12-19-30)34-23-21-28(33)26-32(35-24-13-25-36-32)22-20-27-14-7-4-8-15-27/h4-12,14-19,28,33H,13,20-26H2,1-3H3/t28-/m0/s1
InChIKeyHKHQKHGQWZDGAK-NDEPHWFRSA-N
MW550.91 g/mol
LogP6.90
Rot. Bonds11

About (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol (PubChem CID 101208323) has the molecular formula C32H42O2S2Si and a molecular weight of 550.91 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol
PubChem CID101208323
Molecular FormulaC32H42O2S2Si
Molecular Weight550.91 g/mol
Exact Mass550.24
IUPAC Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol
SMILESCC(C)(C)[Si](OCC[C@H](O)CC1(CCc2ccccc2)SCCCS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O2S2Si/c1-31(2,3)37(29-16-9-5-10-17-29,30-18-11-6-12-19-30)34-23-21-28(33)26-32(35-24-13-25-36-32)22-20-27-14-7-4-8-15-27/h4-12,14-19,28,33H,13,20-26H2,1-3H3/t28-/m0/s1
InChIKeyHKHQKHGQWZDGAK-NDEPHWFRSA-N
XLogP6.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.91
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol 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

2,6-Diphenylthian-4-ol
CID 12198886
(2S,6R)-2,6-diphenylthian-4-ol
CID 12198888
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 11015561
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(E)-2-phenylethenyl]-1,3-dithian-2-yl]hept-6-en-2-ol
CID 11677043
(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithian-2-yl)-6-phenylmethoxyhexan-2-ol
CID 11813902
(2R,4S)-1,5-bis(2-phenyl-1,3-dithian-2-yl)pentane-2,4-diol
CID 57327356
(E,2R)-1-[2-[(2R,4E)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylocta-4,7-dienyl]-1,3-dithian-2-yl]-5-methyl-7-phenylhept-5-en-2-ol
CID 59053274
tert-butyl-[(1R,2R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[2-(1,3-dithian-2-yl)propan-2-yl]-2,4-dimethylnon-8-enoxy]-diphenylsilane
CID 134875180
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[2-[(2S)-5-hydroxypentan-2-yl]-1,3-dithiolan-2-yl]pentan-1-ol
CID 134930050
tert-butyl-[2-[(2S,3S,6R)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 134936241
(E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol
CID 134949001

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol?
The IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol (CID 101208323) is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol.
What is the SMILES notation for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol?
The canonical SMILES for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol is CC(C)(C)[Si](OCC[C@H](O)CC1(CCc2ccccc2)SCCCS1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol?
The InChIKey is HKHQKHGQWZDGAK-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H42O2S2Si/c1-31(2,3)37(29-16-9-5-10-17-29,30-18-11-6-12-19-30)34-23-21-28(33)26-32(35-24-13-25-36-32)22-20-27-14-7-4-8-15-27/h4-12,14-19,28,33H,13,20-26H2,1-3H3/t28-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol?
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol has a molecular weight of 550.91 g/mol, XLogP of 6.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol is sourced from PubChem (CID 101208323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).