(1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane

C13H28O2Si — CID 101062841

IUPAC(1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane
SMILESCCOC1(O[Si](C)(C)C)CCCCC1(C)C
InChIInChI=1S/C13H28O2Si/c1-7-14-13(15-16(4,5)6)11-9-8-10-12(13,2)3/h7-11H2,1-6H3
InChIKeyRFPYOOGPHFLOEZ-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.17
Rot. Bonds4

About (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane

(1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane (PubChem CID 101062841) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane
PubChem CID101062841
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane
SMILESCCOC1(O[Si](C)(C)C)CCCCC1(C)C
InChIInChI=1S/C13H28O2Si/c1-7-14-13(15-16(4,5)6)11-9-8-10-12(13,2)3/h7-11H2,1-6H3
InChIKeyRFPYOOGPHFLOEZ-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

(2-Methoxyspiro[2.5]octan-2-yl)oxy-trimethylsilane
CID 13086984
[(1S,2S)-1-ethoxy-2-methylcyclohexyl]oxy-trimethylsilane
CID 101062840
[(1S,2S)-1-ethoxy-2-ethylcyclohexyl]oxy-trimethylsilane
CID 101062842

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane?
The IUPAC name of (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane (CID 101062841) is (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane.
What is the SMILES notation for (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane?
The canonical SMILES for (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane is CCOC1(O[Si](C)(C)C)CCCCC1(C)C.
What is the InChIKey of (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane?
The InChIKey is RFPYOOGPHFLOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-14-13(15-16(4,5)6)11-9-8-10-12(13,2)3/h7-11H2,1-6H3.
What are the key properties of (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane?
(1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2,2-dimethylcyclohexyl)oxy-trimethylsilane is sourced from PubChem (CID 101062841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).