tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane

C16H28O2SSi — CID 10380832

IUPACtert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
SMILESCc1ccc([S@@](=O)C[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28O2SSi/c1-13-8-10-15(11-9-13)19(17)12-14(2)18-20(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3/t14-,19-/m0/s1
InChIKeyOXYHUTHXVIOYHN-LIRRHRJNSA-N
MW312.55 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane (PubChem CID 10380832) has the molecular formula C16H28O2SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
PubChem CID10380832
Molecular FormulaC16H28O2SSi
Molecular Weight312.55 g/mol
Exact Mass312.16
IUPAC Nametert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
SMILESCc1ccc([S@@](=O)C[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28O2SSi/c1-13-8-10-15(11-9-13)19(17)12-14(2)18-20(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3/t14-,19-/m0/s1
InChIKeyOXYHUTHXVIOYHN-LIRRHRJNSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane (CID 10380832) is tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane is Cc1ccc([S@@](=O)C[C@H](C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
The InChIKey is OXYHUTHXVIOYHN-LIRRHRJNSA-N. The full InChI is InChI=1S/C16H28O2SSi/c1-13-8-10-15(11-9-13)19(17)12-14(2)18-20(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3/t14-,19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane has a molecular weight of 312.55 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane is sourced from PubChem (CID 10380832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).