3-[dimethyl(phenyl)silyl]cyclohexan-1-one

C14H20OSi — CID 11053517

IUPAC3-[dimethyl(phenyl)silyl]cyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C14H20OSi/c1-16(2,13-8-4-3-5-9-13)14-10-6-7-12(15)11-14/h3-5,8-9,14H,6-7,10-11H2,1-2H3
InChIKeyQWTQHNKWTHDRBI-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.12
Rot. Bonds2

About 3-[dimethyl(phenyl)silyl]cyclohexan-1-one

3-[dimethyl(phenyl)silyl]cyclohexan-1-one (PubChem CID 11053517) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]cyclohexan-1-one
PubChem CID11053517
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name3-[dimethyl(phenyl)silyl]cyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C14H20OSi/c1-16(2,13-8-4-3-5-9-13)14-10-6-7-12(15)11-14/h3-5,8-9,14H,6-7,10-11H2,1-2H3
InChIKeyQWTQHNKWTHDRBI-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[dimethyl(phenyl)silyl]cyclohexan-1-one?
The IUPAC name of 3-[dimethyl(phenyl)silyl]cyclohexan-1-one (CID 11053517) is 3-[dimethyl(phenyl)silyl]cyclohexan-1-one.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]cyclohexan-1-one?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]cyclohexan-1-one is C[Si](C)(c1ccccc1)C1CCCC(=O)C1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]cyclohexan-1-one?
The InChIKey is QWTQHNKWTHDRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-16(2,13-8-4-3-5-9-13)14-10-6-7-12(15)11-14/h3-5,8-9,14H,6-7,10-11H2,1-2H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]cyclohexan-1-one?
3-[dimethyl(phenyl)silyl]cyclohexan-1-one has a molecular weight of 232.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]cyclohexan-1-one is sourced from PubChem (CID 11053517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).