tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane

C13H24O3Si — CID 59796127

IUPACtert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane
SMILESC=C1[C@@H]2O[C@@H]2[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-9-12(15-9)11(14-5)10(8)16-17(6,7)13(2,3)4/h9-12H,1H2,2-7H3/t9-,10-,11+,12-/m0/s1
InChIKeyFSJHLJQJECYRKW-YFKTTZPYSA-N
MW256.42 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane (PubChem CID 59796127) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane
PubChem CID59796127
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nametert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane
SMILESC=C1[C@@H]2O[C@@H]2[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-9-12(15-9)11(14-5)10(8)16-17(6,7)13(2,3)4/h9-12H,1H2,2-7H3/t9-,10-,11+,12-/m0/s1
InChIKeyFSJHLJQJECYRKW-YFKTTZPYSA-N
XLogP2.73
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.73
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 58013840
CID 58013840
(2R,4aR,6S,7S,8R,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 11101354
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
(1R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 11333985
(2S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyl-2-phenylsulfanyloxan-3-one
CID 11292012
methyl (2S,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyoxane-2-carboxylate
CID 166001717
(1R,5R,6S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10543628
(2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-one
CID 134836934
tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane
CID 102400006
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol
CID 11060812

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane (CID 59796127) is tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane is C=C1[C@@H]2O[C@@H]2[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane?
The InChIKey is FSJHLJQJECYRKW-YFKTTZPYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-8-9-12(15-9)11(14-5)10(8)16-17(6,7)13(2,3)4/h9-12H,1H2,2-7H3/t9-,10-,11+,12-/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane has a molecular weight of 256.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 59796127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).