tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane

C15H30O2SSi — CID 99772696

IUPACtert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane
SMILESCO[C@@H]1CC[C@]2(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C15H30O2SSi/c1-14(2,3)19(5,6)17-12-8-7-10-15(12)11-9-13(16-4)18-15/h12-13H,7-11H2,1-6H3/t12-,13-,15-/m0/s1
InChIKeyWKDZEVCUOKEMPE-YDHLFZDLSA-N
MW302.56 g/mol
LogP4.80
Rot. Bonds3

About tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane (PubChem CID 99772696) has the molecular formula C15H30O2SSi and a molecular weight of 302.56 g/mol. Its IUPAC name is tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane
PubChem CID99772696
Molecular FormulaC15H30O2SSi
Molecular Weight302.56 g/mol
Exact Mass302.17
IUPAC Nametert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane
SMILESCO[C@@H]1CC[C@]2(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C15H30O2SSi/c1-14(2,3)19(5,6)17-12-8-7-10-15(12)11-9-13(16-4)18-15/h12-13H,7-11H2,1-6H3/t12-,13-,15-/m0/s1
InChIKeyWKDZEVCUOKEMPE-YDHLFZDLSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-thiaspiro[4.4]nonan-2-yl] acetate
CID 99772748
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-thiaspiro[4.4]nonan-2-yl] acetate
CID 117070935
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane
CID 117070880

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane (CID 99772696) is tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane is CO[C@@H]1CC[C@]2(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)S1.
What is the InChIKey of tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane?
The InChIKey is WKDZEVCUOKEMPE-YDHLFZDLSA-N. The full InChI is InChI=1S/C15H30O2SSi/c1-14(2,3)19(5,6)17-12-8-7-10-15(12)11-9-13(16-4)18-15/h12-13H,7-11H2,1-6H3/t12-,13-,15-/m0/s1.
What are the key properties of tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane has a molecular weight of 302.56 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane is sourced from PubChem (CID 99772696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).