tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane

C17H34OS2Si — CID 102576974

IUPACtert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1SCCCS1
InChIInChI=1S/C17H34OS2Si/c1-9-13(2)15(18-21(7,8)17(4,5)6)14(3)16-19-11-10-12-20-16/h9,13-16H,1,10-12H2,2-8H3/t13-,14+,15-/m1/s1
InChIKeyZNJWGOOIRUCAHQ-QLFBSQMISA-N
MW346.68 g/mol
LogP6.03
Rot. Bonds6

About tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 102576974) has the molecular formula C17H34OS2Si and a molecular weight of 346.68 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID102576974
Molecular FormulaC17H34OS2Si
Molecular Weight346.68 g/mol
Exact Mass346.18
IUPAC Nametert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1SCCCS1
InChIInChI=1S/C17H34OS2Si/c1-9-13(2)15(18-21(7,8)17(4,5)6)14(3)16-19-11-10-12-20-16/h9,13-16H,1,10-12H2,2-8H3/t13-,14+,15-/m1/s1
InChIKeyZNJWGOOIRUCAHQ-QLFBSQMISA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.68
LogP ≤ 56.03
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'}

Analyze tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane with MolForge

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Related Compounds

[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
CID 11336143
tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 53253924
[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane
CID 138971354
(s)-t-Butyldimethyl(4-(2-vinyl-1,3-dithian-2-yl)butan-2-yloxy)silane
CID 145997533
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 157938966
tert-butyl-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)pent-4-enoxy]-dimethylsilane
CID 11351379
tert-butyl-[(2R)-1-(2-ethyl-1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 45379401
Tert-butyl-dimethyl-[5-(4-pent-4-enyl-1,3-dithian-2-yl)pentan-2-yloxy]silane
CID 101430148
[(2R,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane
CID 177512964

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane (CID 102576974) is tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane is C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1SCCCS1.
What is the InChIKey of tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is ZNJWGOOIRUCAHQ-QLFBSQMISA-N. The full InChI is InChI=1S/C17H34OS2Si/c1-9-13(2)15(18-21(7,8)17(4,5)6)14(3)16-19-11-10-12-20-16/h9,13-16H,1,10-12H2,2-8H3/t13-,14+,15-/m1/s1.
What are the key properties of tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 346.68 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 102576974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).