tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane

C20H40OS2Si — CID 14409370

IUPACtert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane
SMILESCCCCC/C=C\CC(CCC1SCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OS2Si/c1-7-8-9-10-11-12-13-18(14-15-19-22-16-17-23-19)21-24(5,6)20(2,3)4/h11-12,18-19H,7-10,13-17H2,1-6H3/b12-11-
InChIKeyJGPZGXRERMTSNZ-QXMHVHEDSA-N
MW388.76 g/mol
LogP7.49
Rot. Bonds11

About tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane (PubChem CID 14409370) has the molecular formula C20H40OS2Si and a molecular weight of 388.76 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane
PubChem CID14409370
Molecular FormulaC20H40OS2Si
Molecular Weight388.76 g/mol
Exact Mass388.23
IUPAC Nametert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane
SMILESCCCCC/C=C\CC(CCC1SCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OS2Si/c1-7-8-9-10-11-12-13-18(14-15-19-22-16-17-23-19)21-24(5,6)20(2,3)4/h11-12,18-19H,7-10,13-17H2,1-6H3/b12-11-
InChIKeyJGPZGXRERMTSNZ-QXMHVHEDSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.76
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-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-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane (CID 14409370) is tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane is CCCCC/C=C\CC(CCC1SCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is JGPZGXRERMTSNZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H40OS2Si/c1-7-8-9-10-11-12-13-18(14-15-19-22-16-17-23-19)21-24(5,6)20(2,3)4/h11-12,18-19H,7-10,13-17H2,1-6H3/b12-11-.
What are the key properties of tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 388.76 g/mol, XLogP of 7.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-1-(1,3-dithiolan-2-yl)undec-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 14409370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).