[(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane

C16H30O3Si — CID 102402049

IUPAC[(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane
SMILESC=C[C@H]1OC(C)(C)C[C@@]2(CO2)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O3Si/c1-7-13-14(19-20(8-2,9-3)10-4)16(12-17-16)11-15(5,6)18-13/h7,13-14H,1,8-12H2,2-6H3/t13-,14-,16-/m1/s1
InChIKeyXXQJXQMEUMKTAX-IIAWOOMASA-N
MW298.50 g/mol
LogP3.90
Rot. Bonds6

About [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane

[(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane (PubChem CID 102402049) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane
PubChem CID102402049
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane
SMILESC=C[C@H]1OC(C)(C)C[C@@]2(CO2)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O3Si/c1-7-13-14(19-20(8-2,9-3)10-4)16(12-17-16)11-15(5,6)18-13/h7,13-14H,1,8-12H2,2-6H3/t13-,14-,16-/m1/s1
InChIKeyXXQJXQMEUMKTAX-IIAWOOMASA-N
XLogP3.90
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane?
The IUPAC name of [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane (CID 102402049) is [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane?
The canonical SMILES for [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane is C=C[C@H]1OC(C)(C)C[C@@]2(CO2)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane?
The InChIKey is XXQJXQMEUMKTAX-IIAWOOMASA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-13-14(19-20(8-2,9-3)10-4)16(12-17-16)11-15(5,6)18-13/h7,13-14H,1,8-12H2,2-6H3/t13-,14-,16-/m1/s1.
What are the key properties of [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane?
[(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane has a molecular weight of 298.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-5-ethenyl-7,7-dimethyl-1,6-dioxaspiro[2.5]octan-4-yl]oxy-triethylsilane is sourced from PubChem (CID 102402049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).