tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane

C16H32OS2Si — CID 11809749

IUPACtert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane
SMILESCC[C@H](/C=C\CO[Si](C)(C)C(C)(C)C)C1SCCCS1
InChIInChI=1S/C16H32OS2Si/c1-7-14(15-18-12-9-13-19-15)10-8-11-17-20(5,6)16(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/b10-8-/t14-/m1/s1
InChIKeyGBKHLVKPZHXSJX-QQBNSCQMSA-N
MW332.65 g/mol
LogP5.79
Rot. Bonds6

About tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane

tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane (PubChem CID 11809749) has the molecular formula C16H32OS2Si and a molecular weight of 332.65 g/mol. Its IUPAC name is tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane
PubChem CID11809749
Molecular FormulaC16H32OS2Si
Molecular Weight332.65 g/mol
Exact Mass332.17
IUPAC Nametert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane
SMILESCC[C@H](/C=C\CO[Si](C)(C)C(C)(C)C)C1SCCCS1
InChIInChI=1S/C16H32OS2Si/c1-7-14(15-18-12-9-13-19-15)10-8-11-17-20(5,6)16(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/b10-8-/t14-/m1/s1
InChIKeyGBKHLVKPZHXSJX-QQBNSCQMSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.65
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane (CID 11809749) is tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane is CC[C@H](/C=C\CO[Si](C)(C)C(C)(C)C)C1SCCCS1.
What is the InChIKey of tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane?
The InChIKey is GBKHLVKPZHXSJX-QQBNSCQMSA-N. The full InChI is InChI=1S/C16H32OS2Si/c1-7-14(15-18-12-9-13-19-15)10-8-11-17-20(5,6)16(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/b10-8-/t14-/m1/s1.
What are the key properties of tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane?
tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane has a molecular weight of 332.65 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11809749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).