[(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane

C13H28O2Si — CID 101062842

IUPAC[(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane
SMILESCCO[C@]1(O[Si](C)(C)C)CCCC[C@@H]1CC
InChIInChI=1S/C13H28O2Si/c1-6-12-10-8-9-11-13(12,14-7-2)15-16(3,4)5/h12H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyDLUJWZJAJGMNHL-STQMWFEESA-N
MW244.45 g/mol
LogP4.17
Rot. Bonds5

About [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane

[(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane (PubChem CID 101062842) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane
PubChem CID101062842
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name[(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane
SMILESCCO[C@]1(O[Si](C)(C)C)CCCC[C@@H]1CC
InChIInChI=1S/C13H28O2Si/c1-6-12-10-8-9-11-13(12,14-7-2)15-16(3,4)5/h12H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyDLUJWZJAJGMNHL-STQMWFEESA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Cyclohexyl-1-methoxypropoxy)-trimethylsilane
CID 71102517
1,1-Diethoxy-2-ethylcyclohexane
CID 89063657
2-(2-Ethoxycyclohexyl)ethyl-trimethoxysilane
CID 141187627
[4-Cyclohexyl-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-dimethyl-trimethylsilyloxysilane
CID 153475723
(2,2-Diethoxy-3-ethylcyclohexyl)-methylsilane
CID 174401826
1-(Cyclohexylmethoxy)ethoxy-methylsilane
CID 175180358
[(1S,2S)-1-ethoxy-2-methylcyclohexyl]oxy-trimethylsilane
CID 101062840
(1-Ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane
CID 101062841

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane (CID 101062842) is [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane is CCO[C@]1(O[Si](C)(C)C)CCCC[C@@H]1CC.
What is the InChIKey of [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane?
The InChIKey is DLUJWZJAJGMNHL-STQMWFEESA-N. The full InChI is InChI=1S/C13H28O2Si/c1-6-12-10-8-9-11-13(12,14-7-2)15-16(3,4)5/h12H,6-11H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane?
[(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 101062842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).