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

C15H30OS2Si — CID 53253924

IUPACtert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C1SCCCS1
InChIInChI=1S/C15H30OS2Si/c1-8-13(16-19(6,7)15(3,4)5)12(2)14-17-10-9-11-18-14/h8,12-14H,1,9-11H2,2-7H3/t12-,13+/m1/s1
InChIKeyXAXZSROKCOCERK-OLZOCXBDSA-N
MW318.62 g/mol
LogP5.40
Rot. Bonds5

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

tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 53253924) has the molecular formula C15H30OS2Si and a molecular weight of 318.62 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
PubChem CID53253924
Molecular FormulaC15H30OS2Si
Molecular Weight318.62 g/mol
Exact Mass318.15
IUPAC Nametert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C1SCCCS1
InChIInChI=1S/C15H30OS2Si/c1-8-13(16-19(6,7)15(3,4)5)12(2)14-17-10-9-11-18-14/h8,12-14H,1,9-11H2,2-7H3/t12-,13+/m1/s1
InChIKeyXAXZSROKCOCERK-OLZOCXBDSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.62
LogP ≤ 55.40
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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Related Compounds

[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
CID 11336143
[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane
CID 138971354
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 157938966
5,5-Bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane
CID 11075904
tert-butyl-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)pent-4-enoxy]-dimethylsilane
CID 11351379
1-(1,3-Dithian-2-yl)but-3-en-2-yloxy-trimethylsilane
CID 11747435
tert-butyl-[(Z,4R)-4-(1,3-dithian-2-yl)hex-2-enoxy]-dimethylsilane
CID 11809749
tert-butyl-[(2S,3R,4R)-2-(1,3-dithian-2-yl)-4-methylhex-5-en-3-yl]oxy-dimethylsilane
CID 102576974
[(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-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane (CID 53253924) is tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C1SCCCS1.
What is the InChIKey of tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is XAXZSROKCOCERK-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30OS2Si/c1-8-13(16-19(6,7)15(3,4)5)12(2)14-17-10-9-11-18-14/h8,12-14H,1,9-11H2,2-7H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 318.62 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 53253924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).