tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane

C18H36OS2Si — CID 101446445

IUPACtert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane
SMILESC=CC(CCCCCC1SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OS2Si/c1-7-16(19-22(5,6)18(2,3)4)12-9-8-10-13-17-20-14-11-15-21-17/h7,16-17H,1,8-15H2,2-6H3
InChIKeyHKXUAUVGHRMFFT-UHFFFAOYSA-N
MW360.71 g/mol
LogP6.71
Rot. Bonds9

About tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane

tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane (PubChem CID 101446445) has the molecular formula C18H36OS2Si and a molecular weight of 360.71 g/mol. Its IUPAC name is tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane
PubChem CID101446445
Molecular FormulaC18H36OS2Si
Molecular Weight360.71 g/mol
Exact Mass360.20
IUPAC Nametert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane
SMILESC=CC(CCCCCC1SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OS2Si/c1-7-16(19-22(5,6)18(2,3)4)12-9-8-10-13-17-20-14-11-15-21-17/h7,16-17H,1,8-15H2,2-6H3
InChIKeyHKXUAUVGHRMFFT-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.71
LogP ≤ 56.71
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane (CID 101446445) is tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane is C=CC(CCCCCC1SCCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane?
The InChIKey is HKXUAUVGHRMFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OS2Si/c1-7-16(19-22(5,6)18(2,3)4)12-9-8-10-13-17-20-14-11-15-21-17/h7,16-17H,1,8-15H2,2-6H3.
What are the key properties of tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane?
tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane has a molecular weight of 360.71 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[8-(1,3-dithian-2-yl)oct-1-en-3-yloxy]-dimethylsilane is sourced from PubChem (CID 101446445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).