4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one

C12H20O2 — CID 121011477

IUPAC4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one
SMILESCC(=O)C1(C)C(C)CC(=O)C(C)C1C
InChIInChI=1S/C12H20O2/c1-7-6-11(14)8(2)9(3)12(7,5)10(4)13/h7-9H,6H2,1-5H3
InChIKeyHYOCORVJLWFSTA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.46
Rot. Bonds1

About 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one

4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one (PubChem CID 121011477) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one.

Molecular Properties

Compound Name4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one
PubChem CID121011477
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one
SMILESCC(=O)C1(C)C(C)CC(=O)C(C)C1C
InChIInChI=1S/C12H20O2/c1-7-6-11(14)8(2)9(3)12(7,5)10(4)13/h7-9H,6H2,1-5H3
InChIKeyHYOCORVJLWFSTA-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetramethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
CID 22901868
1-(2,3,4-trimethyl-1,2,4,5,6,7,8,9-octahydrobenzo[7]annulen-3-yl)ethanone
CID 20659558
2-ethyl-3,3,4-trimethylcyclopentan-1-one
CID 14218824
2,3-dimethylcyclobutan-1-one
CID 544588
cis-(2R,3S)-2,3-dimethylcyclobutan-1-one
CID 22213570
[(1S,4S)-2,2,4-trimethyl-6-oxocyclohexyl] acetate
CID 71394308
2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 11038
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 122598312
(2R,3R,4R,5R)-2,4-diacetyl-5-hydroxy-3,5-dimethylcyclohexan-1-one
CID 6581825
ethyl (1S,2S,4aR,8aS)-1,2,5,5-tetramethyl-4-oxo-3,4a,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 11300492
2-acetyl-2-methylcyclopropan-1-one
CID 58194854
(3R,4R,5S)-3-acetyl-3,4,5-trimethyloxolan-2-one
CID 102445769

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one?
The IUPAC name of 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one (CID 121011477) is 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one.
What is the SMILES notation for 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one?
The canonical SMILES for 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one is CC(=O)C1(C)C(C)CC(=O)C(C)C1C.
What is the InChIKey of 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one?
The InChIKey is HYOCORVJLWFSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7-6-11(14)8(2)9(3)12(7,5)10(4)13/h7-9H,6H2,1-5H3.
What are the key properties of 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one?
4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,3,4,5-tetramethylcyclohexan-1-one is sourced from PubChem (CID 121011477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).