[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane

C12H22OS2Si — CID 138971354

IUPAC[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane
SMILESC=C[C@H]1[C@@H](O[Si](C)(C)C)CC12SCCCS2
InChIInChI=1S/C12H22OS2Si/c1-5-10-11(13-16(2,3)4)9-12(10)14-7-6-8-15-12/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyYOZQULHBZLOJLK-QWRGUYRKSA-N
MW274.53 g/mol
LogP3.98
Rot. Bonds3

About [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane

[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane (PubChem CID 138971354) has the molecular formula C12H22OS2Si and a molecular weight of 274.53 g/mol. Its IUPAC name is [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane
PubChem CID138971354
Molecular FormulaC12H22OS2Si
Molecular Weight274.53 g/mol
Exact Mass274.09
IUPAC Name[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane
SMILESC=C[C@H]1[C@@H](O[Si](C)(C)C)CC12SCCCS2
InChIInChI=1S/C12H22OS2Si/c1-5-10-11(13-16(2,3)4)9-12(10)14-7-6-8-15-12/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyYOZQULHBZLOJLK-QWRGUYRKSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 53.98
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
tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 53253924
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 157938966
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
trimethyl-[[(2S,3S)-3-[(Z)-prop-1-enyl]-5,9-dithiaspiro[3.5]nonan-2-yl]oxy]silane
CID 177538412
trimethyl-[[(2S,3S)-3-prop-1-en-2-yl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy]silane
CID 177586114

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane (CID 138971354) is [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane is C=C[C@H]1[C@@H](O[Si](C)(C)C)CC12SCCCS2.
What is the InChIKey of [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane?
The InChIKey is YOZQULHBZLOJLK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22OS2Si/c1-5-10-11(13-16(2,3)4)9-12(10)14-7-6-8-15-12/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m0/s1.
What are the key properties of [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane?
[(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane has a molecular weight of 274.53 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-ethenyl-5,9-dithiaspiro[3.5]nonan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 138971354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).