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

C14H30OS2Si — CID 135038710

IUPACtert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane
SMILESC[C@@H](CC1(C)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OS2Si/c1-12(15-18(6,7)13(2,3)4)11-14(5)16-9-8-10-17-14/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyKBLAABUTGMAIHE-LBPRGKRZSA-N
MW306.61 g/mol
LogP5.37
Rot. Bonds4

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

tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane (PubChem CID 135038710) has the molecular formula C14H30OS2Si and a molecular weight of 306.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane
PubChem CID135038710
Molecular FormulaC14H30OS2Si
Molecular Weight306.61 g/mol
Exact Mass306.15
IUPAC Nametert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane
SMILESC[C@@H](CC1(C)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OS2Si/c1-12(15-18(6,7)13(2,3)4)11-14(5)16-9-8-10-17-14/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyKBLAABUTGMAIHE-LBPRGKRZSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.61
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)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-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane (CID 135038710) is tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane is C[C@@H](CC1(C)SCCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane?
The InChIKey is KBLAABUTGMAIHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30OS2Si/c1-12(15-18(6,7)13(2,3)4)11-14(5)16-9-8-10-17-14/h12H,8-11H2,1-7H3/t12-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane has a molecular weight of 306.61 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-yl]oxysilane is sourced from PubChem (CID 135038710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).