tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane

C10H22OS2Si — CID 134896016

IUPACtert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1SCCCS1
InChIInChI=1S/C10H22OS2Si/c1-10(2,3)14(4,5)11-9-12-7-6-8-13-9/h9H,6-8H2,1-5H3
InChIKeyMIRPRPCQEHTFGX-UHFFFAOYSA-N
MW250.50 g/mol
LogP4.16
Rot. Bonds2

About tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane

tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane (PubChem CID 134896016) has the molecular formula C10H22OS2Si and a molecular weight of 250.50 g/mol. Its IUPAC name is tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane
PubChem CID134896016
Molecular FormulaC10H22OS2Si
Molecular Weight250.50 g/mol
Exact Mass250.09
IUPAC Nametert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1SCCCS1
InChIInChI=1S/C10H22OS2Si/c1-10(2,3)14(4,5)11-9-12-7-6-8-13-9/h9H,6-8H2,1-5H3
InChIKeyMIRPRPCQEHTFGX-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane (CID 134896016) is tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OC1SCCCS1.
What is the InChIKey of tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane?
The InChIKey is MIRPRPCQEHTFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS2Si/c1-10(2,3)14(4,5)11-9-12-7-6-8-13-9/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane?
tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane has a molecular weight of 250.50 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane is sourced from PubChem (CID 134896016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).