tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane

C18H36SSi2 — CID 11336763

IUPACtert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1=CCCC=C([Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C18H36SSi2/c1-17(2,3)20(7,8)15-13-11-12-14-16(19-15)21(9,10)18(4,5)6/h13-14H,11-12H2,1-10H3
InChIKeyQIINJBKSOOURJR-UHFFFAOYSA-N
MW340.73 g/mol
LogP7.38
Rot. Bonds2

About tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane

tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane (PubChem CID 11336763) has the molecular formula C18H36SSi2 and a molecular weight of 340.73 g/mol. Its IUPAC name is tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane
PubChem CID11336763
Molecular FormulaC18H36SSi2
Molecular Weight340.73 g/mol
Exact Mass340.21
IUPAC Nametert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1=CCCC=C([Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C18H36SSi2/c1-17(2,3)20(7,8)15-13-11-12-14-16(19-15)21(9,10)18(4,5)6/h13-14H,11-12H2,1-10H3
InChIKeyQIINJBKSOOURJR-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.73
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane (CID 11336763) is tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)C1=CCCC=C([Si](C)(C)C(C)(C)C)S1.
What is the InChIKey of tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane?
The InChIKey is QIINJBKSOOURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36SSi2/c1-17(2,3)20(7,8)15-13-11-12-14-16(19-15)21(9,10)18(4,5)6/h13-14H,11-12H2,1-10H3.
What are the key properties of tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane?
tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane has a molecular weight of 340.73 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[7-[tert-butyl(dimethyl)silyl]-4,5-dihydrothiepin-2-yl]-dimethylsilane is sourced from PubChem (CID 11336763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).