tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane

C12H24O2Si — CID 102406518

IUPACtert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2O[C@@]21C
InChIInChI=1S/C12H24O2Si/c1-11(2,3)15(5,6)14-10-8-7-9-12(10,4)13-9/h9-10H,7-8H2,1-6H3/t9-,10+,12-/m0/s1
InChIKeyIKKWWXDXMHQUDY-UMNHJUIQSA-N
MW228.41 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane (PubChem CID 102406518) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
PubChem CID102406518
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2O[C@@]21C
InChIInChI=1S/C12H24O2Si/c1-11(2,3)15(5,6)14-10-8-7-9-12(10,4)13-9/h9-10H,7-8H2,1-6H3/t9-,10+,12-/m0/s1
InChIKeyIKKWWXDXMHQUDY-UMNHJUIQSA-N
XLogP3.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.33
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-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane with MolForge

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Related Compounds

tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 87652053
tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane
CID 24881290
(2S,3R,4R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]heptan-7-ol
CID 101344342
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
(1S,3aS,4S,6aS)-3a,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 11326644
[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11291955
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 10755508
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
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
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366
(1aR,3aS,5S,7aS,7bS)-5-[tert-butyl(dimethyl)silyl]oxy-1a,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxirene-7b-carbaldehyde
CID 11485418
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane (CID 102406518) is tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2O[C@@]21C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane?
The InChIKey is IKKWWXDXMHQUDY-UMNHJUIQSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(2,3)15(5,6)14-10-8-7-9-12(10,4)13-9/h9-10H,7-8H2,1-6H3/t9-,10+,12-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane is sourced from PubChem (CID 102406518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).