2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one

C11H20O2 — CID 12590021

IUPAC2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one
SMILESCOCC1(C)CCCC(C)(C)C1=O
InChIInChI=1S/C11H20O2/c1-10(2)6-5-7-11(3,8-13-4)9(10)12/h5-8H2,1-4H3
InChIKeyXETCXMHWNJDQHV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds2

About 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one

2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one (PubChem CID 12590021) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one
PubChem CID12590021
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one
SMILESCOCC1(C)CCCC(C)(C)C1=O
InChIInChI=1S/C11H20O2/c1-10(2)6-5-7-11(3,8-13-4)9(10)12/h5-8H2,1-4H3
InChIKeyXETCXMHWNJDQHV-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, ethyl ester
CID 227357
[(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate
CID 10754383
Methyl 3,3-dimethyl-2-oxocyclohexane-1-carboxylate
CID 10261800
Methyl 5,5-dimethyl-2-oxocyclohexane-1-carboxylate
CID 12441545
1-(Methoxymethyl)cyclohexane-1-carbaldehyde
CID 18405699
2-Hydroxymethyl-2-methylcyclohexanone
CID 11355532
Ethyl 2-oxo-1-propylcyclohexanecarboxylate
CID 223393
1-Cyclohexyl-3-methoxypropan-1-one
CID 61412917
2-Oxaspiro(5.5)undecan-5-one
CID 82413223
methyl (1R,3R)-1,3-dimethyl-2-oxo-cyclohexanecarboxylate
CID 11564583
trans-methyl (1R,3S)-1,3-dimethyl-2-oxocyclohexane-1-carboxylate
CID 98616948
4-Hydroxy-3,3-pentamethylenebutan-2-one
CID 12893810

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one?
The IUPAC name of 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one (CID 12590021) is 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one.
What is the SMILES notation for 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one?
The canonical SMILES for 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one is COCC1(C)CCCC(C)(C)C1=O.
What is the InChIKey of 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one?
The InChIKey is XETCXMHWNJDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)6-5-7-11(3,8-13-4)9(10)12/h5-8H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one?
2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2,6,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 12590021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).