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

C16H32O3Si — CID 102271546

IUPAC[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C)CCCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C16H32O3Si/c1-7-16(19-20(4,5)6)12-10-8-9-11-14(16)13-15(17-2)18-3/h7,14-15H,1,8-13H2,2-6H3/t14-,16-/m1/s1
InChIKeyMVLHYIUFFFPXQG-GDBMZVCRSA-N
MW300.51 g/mol
LogP4.35
Rot. Bonds7

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

[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane (PubChem CID 102271546) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane
PubChem CID102271546
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C)CCCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C16H32O3Si/c1-7-16(19-20(4,5)6)12-10-8-9-11-14(16)13-15(17-2)18-3/h7,14-15H,1,8-13H2,2-6H3/t14-,16-/m1/s1
InChIKeyMVLHYIUFFFPXQG-GDBMZVCRSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane (CID 102271546) is [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane is C=C[C@@]1(O[Si](C)(C)C)CCCCC[C@@H]1CC(OC)OC.
What is the InChIKey of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane?
The InChIKey is MVLHYIUFFFPXQG-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-16(19-20(4,5)6)12-10-8-9-11-14(16)13-15(17-2)18-3/h7,14-15H,1,8-13H2,2-6H3/t14-,16-/m1/s1.
What are the key properties of [(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane?
[(1S,2R)-2-(2,2-dimethoxyethyl)-1-ethenylcycloheptyl]oxy-trimethylsilane has a molecular weight of 300.51 g/mol, XLogP of 4.35, 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-ethenylcycloheptyl]oxy-trimethylsilane is sourced from PubChem (CID 102271546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).