tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane

C16H30O4Si — CID 11174488

IUPACtert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane
SMILESC=C[C@@H]1C[C@@H](OC)[C@@H]2O[C@H]1O[C@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-8-11-9-12(17-5)14-13(19-15(11)20-14)10-18-21(6,7)16(2,3)4/h8,11-15H,1,9-10H2,2-7H3/t11-,12-,13+,14+,15-/m1/s1
InChIKeyIBGLXKJOHGROML-NIFZNCRKSA-N
MW314.50 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane (PubChem CID 11174488) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane
PubChem CID11174488
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nametert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane
SMILESC=C[C@@H]1C[C@@H](OC)[C@@H]2O[C@H]1O[C@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-8-11-9-12(17-5)14-13(19-15(11)20-14)10-18-21(6,7)16(2,3)4/h8,11-15H,1,9-10H2,2-7H3/t11-,12-,13+,14+,15-/m1/s1
InChIKeyIBGLXKJOHGROML-NIFZNCRKSA-N
XLogP3.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(2S)-1-[(2R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940113
tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane
CID 10521007
tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 10940077
[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane
CID 10964146
tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane
CID 11056136
(1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol
CID 11248764
tert-butyl-[[(1R,2R,5R,6S,8S,10R)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane
CID 11381819
tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane
CID 11416153
tert-butyl-[(2S)-1-[(2S,5R,7R,8R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 16119970
[(2S,3R,5S,6R)-2-ethenyl-5-(methoxymethoxy)-6-(methoxymethoxymethyl)-6-methyloxan-3-yl]oxy-tri(propan-2-yl)silane
CID 44129865
(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 101232088
tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane
CID 101358616

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane (CID 11174488) is tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane is C=C[C@@H]1C[C@@H](OC)[C@@H]2O[C@H]1O[C@H]2CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane?
The InChIKey is IBGLXKJOHGROML-NIFZNCRKSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-8-11-9-12(17-5)14-13(19-15(11)20-14)10-18-21(6,7)16(2,3)4/h8,11-15H,1,9-10H2,2-7H3/t11-,12-,13+,14+,15-/m1/s1.
What are the key properties of tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane has a molecular weight of 314.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11174488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).