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

C12H24O4Si — CID 175023209

IUPAC2-(3-trimethoxysilylpropyl)cyclohexan-1-one
SMILESCO[Si](CCCC1CCCCC1=O)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-14-17(15-2,16-3)10-6-8-11-7-4-5-9-12(11)13/h11H,4-10H2,1-3H3
InChIKeyJEYOMELXBRWDKO-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.40
Rot. Bonds7

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

2-(3-trimethoxysilylpropyl)cyclohexan-1-one (PubChem CID 175023209) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-(3-trimethoxysilylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-trimethoxysilylpropyl)cyclohexan-1-one
PubChem CID175023209
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name2-(3-trimethoxysilylpropyl)cyclohexan-1-one
SMILESCO[Si](CCCC1CCCCC1=O)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-14-17(15-2,16-3)10-6-8-11-7-4-5-9-12(11)13/h11H,4-10H2,1-3H3
InChIKeyJEYOMELXBRWDKO-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.40
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 2-(3-trimethoxysilylpropyl)cyclohexan-1-one?
The IUPAC name of 2-(3-trimethoxysilylpropyl)cyclohexan-1-one (CID 175023209) is 2-(3-trimethoxysilylpropyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-trimethoxysilylpropyl)cyclohexan-1-one?
The canonical SMILES for 2-(3-trimethoxysilylpropyl)cyclohexan-1-one is CO[Si](CCCC1CCCCC1=O)(OC)OC.
What is the InChIKey of 2-(3-trimethoxysilylpropyl)cyclohexan-1-one?
The InChIKey is JEYOMELXBRWDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-14-17(15-2,16-3)10-6-8-11-7-4-5-9-12(11)13/h11H,4-10H2,1-3H3.
What are the key properties of 2-(3-trimethoxysilylpropyl)cyclohexan-1-one?
2-(3-trimethoxysilylpropyl)cyclohexan-1-one has a molecular weight of 260.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethoxysilylpropyl)cyclohexan-1-one is sourced from PubChem (CID 175023209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).