5-methoxy-3,6-dimethylcyclohex-2-en-1-one

C9H14O2 — CID 91490765

IUPAC5-methoxy-3,6-dimethylcyclohex-2-en-1-one
SMILESCOC1CC(C)=CC(=O)C1C
InChIInChI=1S/C9H14O2/c1-6-4-8(10)7(2)9(5-6)11-3/h4,7,9H,5H2,1-3H3
InChIKeyWHLLCDAPEAXDCC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds1

About 5-methoxy-3,6-dimethylcyclohex-2-en-1-one

5-methoxy-3,6-dimethylcyclohex-2-en-1-one (PubChem CID 91490765) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methoxy-3,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-methoxy-3,6-dimethylcyclohex-2-en-1-one
PubChem CID91490765
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-methoxy-3,6-dimethylcyclohex-2-en-1-one
SMILESCOC1CC(C)=CC(=O)C1C
InChIInChI=1S/C9H14O2/c1-6-4-8(10)7(2)9(5-6)11-3/h4,7,9H,5H2,1-3H3
InChIKeyWHLLCDAPEAXDCC-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 12523924
[(1S,6S)-6-acetyl-3-methylcyclohex-3-en-1-yl] acetate
CID 11528517
(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one
CID 131165590
6-Methyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 11686940
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
CID 20687575
(4S,5E)-4-[(1R,2R)-1-methoxy-2-methylbut-3-enyl]-5,9-dimethyldeca-1,5-dien-3-one
CID 60115106
(4R,5R,6S)-5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
CID 60115108
(E)-1-cyclohex-3-en-1-yl-5-methoxy-2-methylhept-2-en-1-one
CID 68213101
5-Methoxy-4-methylcyclohexene-1-carbaldehyde
CID 89143760
4-Methoxy-3,6-dimethylhept-6-en-2-one
CID 90823803
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one
CID 91156705
1-(Oxan-4-ylidene)-3-propylheptan-2-one
CID 123646377

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 5-methoxy-3,6-dimethylcyclohex-2-en-1-one (CID 91490765) is 5-methoxy-3,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 5-methoxy-3,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 5-methoxy-3,6-dimethylcyclohex-2-en-1-one is COC1CC(C)=CC(=O)C1C.
What is the InChIKey of 5-methoxy-3,6-dimethylcyclohex-2-en-1-one?
The InChIKey is WHLLCDAPEAXDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-8(10)7(2)9(5-6)11-3/h4,7,9H,5H2,1-3H3.
What are the key properties of 5-methoxy-3,6-dimethylcyclohex-2-en-1-one?
5-methoxy-3,6-dimethylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 91490765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).