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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Related Compounds

Tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane
CID 139252757
(s)-t-Butyldimethyl(4-(2-vinyl-1,3-dithian-2-yl)butan-2-yloxy)silane
CID 145997533
(2R)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]pent-4-en-2-ol
CID 42599909
tert-butyl-[(4R,6R)-7-(1,3-dithian-2-yl)-6-triethylsilyloxyhept-1-en-4-yl]oxy-dimethylsilane
CID 44208491
tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 45379401
tert-butyl-dimethyl-[(2S)-1-(2-methyl-1,3-dithian-2-yl)-3-(2-prop-2-enyl-1,3-dithian-2-yl)propan-2-yl]oxysilane
CID 101388825
Tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane
CID 101430148
tert-butyl-dimethyl-[(2S)-1-(2-prop-2-enyl-1,3-dithian-2-yl)heptan-2-yl]oxysilane
CID 102380296

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).