6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione

C10H14O3 — CID 102201890

IUPAC6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCOCC1(C)CC(=O)C=C(C)C1=O
InChIInChI=1S/C10H14O3/c1-7-4-8(11)5-10(2,6-13-3)9(7)12/h4H,5-6H2,1-3H3
InChIKeyQEPKQUHSJRSTRC-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.13
Rot. Bonds2

About 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione

6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione (PubChem CID 102201890) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione
PubChem CID102201890
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCOCC1(C)CC(=O)C=C(C)C1=O
InChIInChI=1S/C10H14O3/c1-7-4-8(11)5-10(2,6-13-3)9(7)12/h4H,5-6H2,1-3H3
InChIKeyQEPKQUHSJRSTRC-UHFFFAOYSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ketoisophorone
CID 62374
2,5,5-Trimethyl-2-cyclohexene-1,4-dione
CID 12640428
1,3-Dimethyl-2-oxocyclohex-3-enecarboxylic acid, methyl ester
CID 557505
(1,3-Dimethyl-2-oxocyclohex-3-en-1-yl)methyl acetate
CID 14015465
(1,3-Dimethyl-2,5-dioxocyclohex-3-en-1-yl)methyl acetate
CID 14015468
Methyl 1,3-dimethyl-2,5-dioxocyclohex-3-ene-1-carboxylate
CID 14482966
6-(Methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one
CID 102201889
5-Hydroxymethyl-3,5-dimethyl-2-cyclohexen-1-one
CID 129887674
methyl (1R)-1,3-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
CID 11063041
Dimethyl 3-methyl-5-oxocyclohex-3-ene-1,1-dicarboxylate
CID 25105108
5-(1-Methoxyethyl)-5-methylcyclohex-2-ene-1,4-dione
CID 57213885
Diethyl 3-methyl-5-oxocyclohex-3-ene-1,1-dicarboxylate
CID 102388462

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione?
The IUPAC name of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione (CID 102201890) is 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione is COCC1(C)CC(=O)C=C(C)C1=O.
What is the InChIKey of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione?
The InChIKey is QEPKQUHSJRSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-4-8(11)5-10(2,6-13-3)9(7)12/h4H,5-6H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione?
6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione has a molecular weight of 182.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,6-dimethylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 102201890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).