tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane

C16H30O4Si — CID 11056136

IUPACtert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane
SMILESC=C[C@@]1(C)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]21
InChIInChI=1S/C16H30O4Si/c1-9-16(5)13-12(20-13)11(19-14(16)17-6)10-18-21(7,8)15(2,3)4/h9,11-14H,1,10H2,2-8H3/t11-,12-,13-,14+,16-/m1/s1
InChIKeyFWTPXOKMYBRXNI-AQDIXCGQSA-N
MW314.50 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane (PubChem CID 11056136) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane
PubChem CID11056136
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nametert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane
SMILESC=C[C@@]1(C)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]21
InChIInChI=1S/C16H30O4Si/c1-9-16(5)13-12(20-13)11(19-14(16)17-6)10-18-21(7,8)15(2,3)4/h9,11-14H,1,10H2,2-8H3/t11-,12-,13-,14+,16-/m1/s1
InChIKeyFWTPXOKMYBRXNI-AQDIXCGQSA-N
XLogP3.34
TPSA40.22 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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(1S,2R,4S,5R)-2-ethenyl-2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]oxy]-dimethylsilane
CID 9994061
[(2S,3R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-2-methoxy-3-methyloxan-4-yl] acetate
CID 10970395
tert-butyl-[[(1S,2R,4S,5R,7S)-4-ethenyl-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane
CID 11174488
(1S,2S,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-ol
CID 11702168

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of 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) is tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane is C=C[C@@]1(C)[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]21.
What is the InChIKey of tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane?
The InChIKey is FWTPXOKMYBRXNI-AQDIXCGQSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-9-16(5)13-12(20-13)11(19-14(16)17-6)10-18-21(7,8)15(2,3)4/h9,11-14H,1,10H2,2-8H3/t11-,12-,13-,14+,16-/m1/s1.
What are the key properties of tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2R,4S,5R,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-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,6S)-5-ethenyl-4-methoxy-5-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11056136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).