tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane

C17H28OS2Si — CID 11559195

IUPACtert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane
SMILESCC1(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)SCCCS1
InChIInChI=1S/C17H28OS2Si/c1-16(2,3)21(5,6)18-15-10-8-14(9-11-15)17(4)19-12-7-13-20-17/h8-11H,7,12-13H2,1-6H3
InChIKeyUJKBCFNQJKDWON-UHFFFAOYSA-N
MW340.63 g/mol
LogP6.11
Rot. Bonds3

About tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane

tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane (PubChem CID 11559195) has the molecular formula C17H28OS2Si and a molecular weight of 340.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane
PubChem CID11559195
Molecular FormulaC17H28OS2Si
Molecular Weight340.63 g/mol
Exact Mass340.14
IUPAC Nametert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane
SMILESCC1(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)SCCCS1
InChIInChI=1S/C17H28OS2Si/c1-16(2,3)21(5,6)18-15-10-8-14(9-11-15)17(4)19-12-7-13-20-17/h8-11H,7,12-13H2,1-6H3
InChIKeyUJKBCFNQJKDWON-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.63
LogP ≤ 56.11
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-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane (CID 11559195) is tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane is CC1(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)SCCCS1.
What is the InChIKey of tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane?
The InChIKey is UJKBCFNQJKDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OS2Si/c1-16(2,3)21(5,6)18-15-10-8-14(9-11-15)17(4)19-12-7-13-20-17/h8-11H,7,12-13H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane?
tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane has a molecular weight of 340.63 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]silane is sourced from PubChem (CID 11559195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).