[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane

C15H30OS2Si — CID 11336143

IUPAC[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
SMILESC=CC[C@H](CC1SCCCS1)O[Si](CC)(CC)CC
InChIInChI=1S/C15H30OS2Si/c1-5-10-14(13-15-17-11-9-12-18-15)16-19(6-2,7-3)8-4/h5,14-15H,1,6-13H2,2-4H3/t14-/m1/s1
InChIKeyTUBPPSUHACQNEQ-CQSZACIVSA-N
MW318.62 g/mol
LogP5.54
Rot. Bonds9

About [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane

[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane (PubChem CID 11336143) has the molecular formula C15H30OS2Si and a molecular weight of 318.62 g/mol. Its IUPAC name is [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
PubChem CID11336143
Molecular FormulaC15H30OS2Si
Molecular Weight318.62 g/mol
Exact Mass318.15
IUPAC Name[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
SMILESC=CC[C@H](CC1SCCCS1)O[Si](CC)(CC)CC
InChIInChI=1S/C15H30OS2Si/c1-5-10-14(13-15-17-11-9-12-18-15)16-19(6-2,7-3)8-4/h5,14-15H,1,6-13H2,2-4H3/t14-/m1/s1
InChIKeyTUBPPSUHACQNEQ-CQSZACIVSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.62
LogP ≤ 55.54
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

tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 53253924
(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol
CID 134942308
[(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
5,5-Bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane
CID 11075904
1-(1,3-Dithian-2-yl)but-3-en-2-yloxy-trimethylsilane
CID 11747435
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
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 [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane?
The IUPAC name of [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane (CID 11336143) is [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane?
The canonical SMILES for [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane is C=CC[C@H](CC1SCCCS1)O[Si](CC)(CC)CC.
What is the InChIKey of [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane?
The InChIKey is TUBPPSUHACQNEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30OS2Si/c1-5-10-14(13-15-17-11-9-12-18-15)16-19(6-2,7-3)8-4/h5,14-15H,1,6-13H2,2-4H3/t14-/m1/s1.
What are the key properties of [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane?
[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane has a molecular weight of 318.62 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane is sourced from PubChem (CID 11336143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).