[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane

C15H30O3Si — CID 135074348

IUPAC[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C)CCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C15H30O3Si/c1-7-15(18-19(4,5)6)11-9-8-10-13(15)12-14(16-2)17-3/h7,13-14H,1,8-12H2,2-6H3/t13-,15-/m1/s1
InChIKeyIUKHEDLZHISJBU-UKRRQHHQSA-N
MW286.49 g/mol
LogP3.96
Rot. Bonds7

About [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane

[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane (PubChem CID 135074348) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane
PubChem CID135074348
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C)CCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C15H30O3Si/c1-7-15(18-19(4,5)6)11-9-8-10-13(15)12-14(16-2)17-3/h7,13-14H,1,8-12H2,2-6H3/t13-,15-/m1/s1
InChIKeyIUKHEDLZHISJBU-UKRRQHHQSA-N
XLogP3.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(3,3-Dimethoxypropyl)-2-methylidenecyclohexyl]oxy-trimethylsilane
CID 10859111
[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane
CID 102271546

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane (CID 135074348) is [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane is C=C[C@@]1(O[Si](C)(C)C)CCCC[C@@H]1CC(OC)OC.
What is the InChIKey of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane?
The InChIKey is IUKHEDLZHISJBU-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-15(18-19(4,5)6)11-9-8-10-13(15)12-14(16-2)17-3/h7,13-14H,1,8-12H2,2-6H3/t13-,15-/m1/s1.
What are the key properties of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane?
[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 135074348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).