3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one

C17H26OSi — CID 12736442

IUPAC3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)CC(C)([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C17H26OSi/c1-16(2)11-14(18)12-17(3,13-16)19(4,5)15-9-7-6-8-10-15/h6-10H,11-13H2,1-5H3
InChIKeyIVWJHVRSFJNJAU-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.14
Rot. Bonds2

About 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one

3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one (PubChem CID 12736442) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one
PubChem CID12736442
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)CC(C)([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C17H26OSi/c1-16(2)11-14(18)12-17(3,13-16)19(4,5)15-9-7-6-8-10-15/h6-10H,11-13H2,1-5H3
InChIKeyIVWJHVRSFJNJAU-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.14
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]-3,5,5-trimethylcyclohexan-1-one?
The IUPAC name of 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one (CID 12736442) is 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one is CC1(C)CC(=O)CC(C)([Si](C)(C)c2ccccc2)C1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one?
The InChIKey is IVWJHVRSFJNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-16(2)11-14(18)12-17(3,13-16)19(4,5)15-9-7-6-8-10-15/h6-10H,11-13H2,1-5H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one?
3-[dimethyl(phenyl)silyl]-3,5,5-trimethylcyclohexan-1-one has a molecular weight of 274.48 g/mol, XLogP of 4.14, 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]-3,5,5-trimethylcyclohexan-1-one is sourced from PubChem (CID 12736442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).