3-(2-trimethoxysilylethyl)cyclohexan-1-one

C11H22O4Si — CID 58813393

IUPAC3-(2-trimethoxysilylethyl)cyclohexan-1-one
SMILESCO[Si](CCC1CCCC(=O)C1)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-13-16(14-2,15-3)8-7-10-5-4-6-11(12)9-10/h10H,4-9H2,1-3H3
InChIKeyORNAOBPHMNWHDA-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.01
Rot. Bonds6

About 3-(2-trimethoxysilylethyl)cyclohexan-1-one

3-(2-trimethoxysilylethyl)cyclohexan-1-one (PubChem CID 58813393) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(2-trimethoxysilylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-trimethoxysilylethyl)cyclohexan-1-one
PubChem CID58813393
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name3-(2-trimethoxysilylethyl)cyclohexan-1-one
SMILESCO[Si](CCC1CCCC(=O)C1)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-13-16(14-2,15-3)8-7-10-5-4-6-11(12)9-10/h10H,4-9H2,1-3H3
InChIKeyORNAOBPHMNWHDA-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethoxysilylethyl)cyclohexan-1-one?
The IUPAC name of 3-(2-trimethoxysilylethyl)cyclohexan-1-one (CID 58813393) is 3-(2-trimethoxysilylethyl)cyclohexan-1-one.
What is the SMILES notation for 3-(2-trimethoxysilylethyl)cyclohexan-1-one?
The canonical SMILES for 3-(2-trimethoxysilylethyl)cyclohexan-1-one is CO[Si](CCC1CCCC(=O)C1)(OC)OC.
What is the InChIKey of 3-(2-trimethoxysilylethyl)cyclohexan-1-one?
The InChIKey is ORNAOBPHMNWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-13-16(14-2,15-3)8-7-10-5-4-6-11(12)9-10/h10H,4-9H2,1-3H3.
What are the key properties of 3-(2-trimethoxysilylethyl)cyclohexan-1-one?
3-(2-trimethoxysilylethyl)cyclohexan-1-one has a molecular weight of 246.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethoxysilylethyl)cyclohexan-1-one is sourced from PubChem (CID 58813393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).