tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane

C17H30O4Si — CID 11416153

IUPACtert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane
SMILESC=C[C@@H]1CO[C@H]2[C@@H]1C[C@H]1O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O4Si/c1-7-11-9-18-15-12(11)8-14-20-13(16(15)21-14)10-19-22(5,6)17(2,3)4/h7,11-16H,1,8-10H2,2-6H3/t11-,12-,13+,14-,15+,16-/m1/s1
InChIKeyRYDRLHIGRZZJLX-VJQRDGCPSA-N
MW326.51 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane (PubChem CID 11416153) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane
PubChem CID11416153
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nametert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane
SMILESC=C[C@@H]1CO[C@H]2[C@@H]1C[C@H]1O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O4Si/c1-7-11-9-18-15-12(11)8-14-20-13(16(15)21-14)10-19-22(5,6)17(2,3)4/h7,11-16H,1,8-10H2,2-6H3/t11-,12-,13+,14-,15+,16-/m1/s1
InChIKeyRYDRLHIGRZZJLX-VJQRDGCPSA-N
XLogP3.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
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'}

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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-[[(1R,2S,6S,8R,9S)-3,12-dimethylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 135003162
tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
CID 10497252
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,2R,3S,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 10594183
tert-butyl-dimethyl-[[(1R,2R,3R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
CID 10785152
tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane
CID 11174488
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-[(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
tert-butyl-[[(1R,2S,6R,9S)-3,12-dimethylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 101687093
tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane
CID 102092268
tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane
CID 102092269

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane?
The IUPAC name of 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) is tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane is C=C[C@@H]1CO[C@H]2[C@@H]1C[C@H]1O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane?
The InChIKey is RYDRLHIGRZZJLX-VJQRDGCPSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-11-9-18-15-12(11)8-14-20-13(16(15)21-14)10-19-22(5,6)17(2,3)4/h7,11-16H,1,8-10H2,2-6H3/t11-,12-,13+,14-,15+,16-/m1/s1.
What are the key properties of tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane has a molecular weight of 326.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11416153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).