tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane

C18H36O3S2Si — CID 11429296

IUPACtert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C[C@@H]1OC(C)(C)O[C@H]1C1SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3S2Si/c1-13(21-24(7,8)17(2,3)4)12-14-15(20-18(5,6)19-14)16-22-10-9-11-23-16/h13-16H,9-12H2,1-8H3/t13-,14-,15+/m0/s1
InChIKeyOZBACTUPWKFEEU-SOUVJXGZSA-N
MW392.70 g/mol
LogP5.50
Rot. Bonds5

About tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane (PubChem CID 11429296) has the molecular formula C18H36O3S2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
PubChem CID11429296
Molecular FormulaC18H36O3S2Si
Molecular Weight392.70 g/mol
Exact Mass392.19
IUPAC Nametert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C[C@@H]1OC(C)(C)O[C@H]1C1SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3S2Si/c1-13(21-24(7,8)17(2,3)4)12-14-15(20-18(5,6)19-14)16-22-10-9-11-23-16/h13-16H,9-12H2,1-8H3/t13-,14-,15+/m0/s1
InChIKeyOZBACTUPWKFEEU-SOUVJXGZSA-N
XLogP5.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane (CID 11429296) is tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane is C[C@@H](C[C@@H]1OC(C)(C)O[C@H]1C1SCCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The InChIKey is OZBACTUPWKFEEU-SOUVJXGZSA-N. The full InChI is InChI=1S/C18H36O3S2Si/c1-13(21-24(7,8)17(2,3)4)12-14-15(20-18(5,6)19-14)16-22-10-9-11-23-16/h13-16H,9-12H2,1-8H3/t13-,14-,15+/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane has a molecular weight of 392.70 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11429296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).