tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane

C16H30S2Si — CID 11347577

IUPACtert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane
SMILESCCCCC#CC1([Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C16H30S2Si/c1-7-8-9-10-12-16(17-13-11-14-18-16)19(5,6)15(2,3)4/h7-9,11,13-14H2,1-6H3
InChIKeyFAJVFBNQQQZTRC-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.79
Rot. Bonds3

About tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane

tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane (PubChem CID 11347577) has the molecular formula C16H30S2Si and a molecular weight of 314.64 g/mol. Its IUPAC name is tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane
PubChem CID11347577
Molecular FormulaC16H30S2Si
Molecular Weight314.64 g/mol
Exact Mass314.16
IUPAC Nametert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane
SMILESCCCCC#CC1([Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C16H30S2Si/c1-7-8-9-10-12-16(17-13-11-14-18-16)19(5,6)15(2,3)4/h7-9,11,13-14H2,1-6H3
InChIKeyFAJVFBNQQQZTRC-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane (CID 11347577) is tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane is CCCCC#CC1([Si](C)(C)C(C)(C)C)SCCCS1.
What is the InChIKey of tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane?
The InChIKey is FAJVFBNQQQZTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30S2Si/c1-7-8-9-10-12-16(17-13-11-14-18-16)19(5,6)15(2,3)4/h7-9,11,13-14H2,1-6H3.
What are the key properties of tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane?
tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane has a molecular weight of 314.64 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-hex-1-ynyl-1,3-dithian-2-yl)-dimethylsilane is sourced from PubChem (CID 11347577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).