tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane

C13H24S2Si — CID 11380278

IUPACtert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane
SMILESCC#CC1([Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C13H24S2Si/c1-7-9-13(14-10-8-11-15-13)16(5,6)12(2,3)4/h8,10-11H2,1-6H3
InChIKeyUZYRSUDVMBROLR-UHFFFAOYSA-N
MW272.55 g/mol
LogP4.62
Rot. Bonds1

About tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane

tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane (PubChem CID 11380278) has the molecular formula C13H24S2Si and a molecular weight of 272.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane
PubChem CID11380278
Molecular FormulaC13H24S2Si
Molecular Weight272.55 g/mol
Exact Mass272.11
IUPAC Nametert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane
SMILESCC#CC1([Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C13H24S2Si/c1-7-9-13(14-10-8-11-15-13)16(5,6)12(2,3)4/h8,10-11H2,1-6H3
InChIKeyUZYRSUDVMBROLR-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.55
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane?
The IUPAC name of tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane (CID 11380278) is tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane is CC#CC1([Si](C)(C)C(C)(C)C)SCCCS1.
What is the InChIKey of tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane?
The InChIKey is UZYRSUDVMBROLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S2Si/c1-7-9-13(14-10-8-11-15-13)16(5,6)12(2,3)4/h8,10-11H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane?
tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane has a molecular weight of 272.55 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-prop-1-ynyl-1,3-dithian-2-yl)silane is sourced from PubChem (CID 11380278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).