tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane

C14H28O2Si — CID 24881290

IUPACtert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane
SMILESCC[C@]12O[C@H]1CCC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-14-11(15-14)9-8-10-12(14)16-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+,14-/m0/s1
InChIKeyKPWRQFNWWUUQGI-SCRDCRAPSA-N
MW256.46 g/mol
LogP4.11
Rot. Bonds3

About tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane (PubChem CID 24881290) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane
PubChem CID24881290
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane
SMILESCC[C@]12O[C@H]1CCC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-14-11(15-14)9-8-10-12(14)16-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+,14-/m0/s1
InChIKeyKPWRQFNWWUUQGI-SCRDCRAPSA-N
XLogP4.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(1S,2S,3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 125034530
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
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
CID 102386072
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane (CID 24881290) is tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane is CC[C@]12O[C@H]1CCC[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane?
The InChIKey is KPWRQFNWWUUQGI-SCRDCRAPSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-14-11(15-14)9-8-10-12(14)16-17(5,6)13(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+,14-/m0/s1.
What are the key properties of tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 24881290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).