tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane

C14H26O2SSi — CID 117070880

IUPACtert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC12CC=CS2=O
InChIInChI=1S/C14H26O2SSi/c1-13(2,3)18(4,5)16-12-8-6-9-14(12)10-7-11-17(14)15/h7,11-12H,6,8-10H2,1-5H3/t12-,14?,17?/m1/s1
InChIKeyRXHSIINQQBLLBW-RFSCMCKOSA-N
MW286.51 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane

tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane (PubChem CID 117070880) has the molecular formula C14H26O2SSi and a molecular weight of 286.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane
PubChem CID117070880
Molecular FormulaC14H26O2SSi
Molecular Weight286.51 g/mol
Exact Mass286.14
IUPAC Nametert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC12CC=CS2=O
InChIInChI=1S/C14H26O2SSi/c1-13(2,3)18(4,5)16-12-8-6-9-14(12)10-7-11-17(14)15/h7,11-12H,6,8-10H2,1-5H3/t12-,14?,17?/m1/s1
InChIKeyRXHSIINQQBLLBW-RFSCMCKOSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
2-[(1S,4aS,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-yl]acetaldehyde
CID 16723993
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
(2S,7S)-2-[tert-butyl(dimethyl)silyl]oxy-11,11-dimethoxytricyclo[7.2.2.01,7]tridec-12-en-10-one
CID 101141709
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(1S,2'R,4R,5S)-2'-[tert-butyl(dimethyl)silyl]oxyspiro[6-oxabicyclo[3.1.0]hexane-4,1'-cyclopentane]-2-one
CID 11437525
tert-butyl-[[(2S,5S,9S)-2-methoxy-1-thiaspiro[4.4]nonan-9-yl]oxy]-dimethylsilane
CID 99772696

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane (CID 117070880) is tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC12CC=CS2=O.
What is the InChIKey of tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane?
The InChIKey is RXHSIINQQBLLBW-RFSCMCKOSA-N. The full InChI is InChI=1S/C14H26O2SSi/c1-13(2,3)18(4,5)16-12-8-6-9-14(12)10-7-11-17(14)15/h7,11-12H,6,8-10H2,1-5H3/t12-,14?,17?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane?
tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane has a molecular weight of 286.51 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(9R)-1-oxo-1λ4-thiaspiro[4.4]non-2-en-9-yl]oxy]silane is sourced from PubChem (CID 117070880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).