tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane

C19H40OS2Si — CID 72737457

IUPACtert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane
SMILESC[C@H](CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)CC1SCCCS1
InChIInChI=1S/C19H40OS2Si/c1-16(14-18-21-12-9-13-22-18)10-8-11-17(2)15-20-23(6,7)19(3,4)5/h16-18H,8-15H2,1-7H3/t16-,17+/m1/s1
InChIKeySZFWZVRPNQBRCD-SJORKVTESA-N
MW376.75 g/mol
LogP7.04
Rot. Bonds9

About tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane

tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane (PubChem CID 72737457) has the molecular formula C19H40OS2Si and a molecular weight of 376.75 g/mol. Its IUPAC name is tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane
PubChem CID72737457
Molecular FormulaC19H40OS2Si
Molecular Weight376.75 g/mol
Exact Mass376.23
IUPAC Nametert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane
SMILESC[C@H](CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)CC1SCCCS1
InChIInChI=1S/C19H40OS2Si/c1-16(14-18-21-12-9-13-22-18)10-8-11-17(2)15-20-23(6,7)19(3,4)5/h16-18H,8-15H2,1-7H3/t16-,17+/m1/s1
InChIKeySZFWZVRPNQBRCD-SJORKVTESA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.75
LogP ≤ 57.04
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-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane (CID 72737457) is tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane is C[C@H](CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)CC1SCCCS1.
What is the InChIKey of tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane?
The InChIKey is SZFWZVRPNQBRCD-SJORKVTESA-N. The full InChI is InChI=1S/C19H40OS2Si/c1-16(14-18-21-12-9-13-22-18)10-8-11-17(2)15-20-23(6,7)19(3,4)5/h16-18H,8-15H2,1-7H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane?
tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane has a molecular weight of 376.75 g/mol, XLogP of 7.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,6R)-7-(1,3-dithian-2-yl)-2,6-dimethylheptoxy]-dimethylsilane is sourced from PubChem (CID 72737457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).