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

C12H23FOSi — CID 10466416

IUPAC3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)CC(C)(C[Si](C)(C)F)C1
InChIInChI=1S/C12H23FOSi/c1-11(2)6-10(14)7-12(3,8-11)9-15(4,5)13/h6-9H2,1-5H3
InChIKeyCXVBTODGPFZJNS-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.95
Rot. Bonds2

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

3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one (PubChem CID 10466416) has the molecular formula C12H23FOSi and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one
PubChem CID10466416
Molecular FormulaC12H23FOSi
Molecular Weight230.40 g/mol
Exact Mass230.15
IUPAC Name3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)CC(C)(C[Si](C)(C)F)C1
InChIInChI=1S/C12H23FOSi/c1-11(2)6-10(14)7-12(3,8-11)9-15(4,5)13/h6-9H2,1-5H3
InChIKeyCXVBTODGPFZJNS-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,5,5-Tetramethylcyclohexanone
CID 84399
2-Methyl-6-(trimethylsilylmethyl)cyclohexan-1-one
CID 14712713
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
2-Fluoro-3,3,5,5-tetramethylcyclohexan-1-one
CID 13222567
3-[Dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one
CID 139263738
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
CID 10658901
(2R)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-one
CID 93518366
(2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-one
CID 93518367
2-Methyl-2-trimethylsilylcyclohexan-1-one
CID 44596847
2,2-Dimethyl-7-trimethylsilylheptan-3-one
CID 23525952
4-Methyl-4-((trimethylsilyl)ethynyl)cyclohexanone
CID 57523556
4,4-Dimethyl-3-trimethylsilylcyclohexan-1-one
CID 89758822

Frequently Asked Questions

What is the IUPAC name of 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one?
The IUPAC name of 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one (CID 10466416) is 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one.
What is the SMILES notation for 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one?
The canonical SMILES for 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one is CC1(C)CC(=O)CC(C)(C[Si](C)(C)F)C1.
What is the InChIKey of 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one?
The InChIKey is CXVBTODGPFZJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FOSi/c1-11(2)6-10(14)7-12(3,8-11)9-15(4,5)13/h6-9H2,1-5H3.
What are the key properties of 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one?
3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one has a molecular weight of 230.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one is sourced from PubChem (CID 10466416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).