2-methoxy-3-methylcyclohex-2-ene-1,4-dione

C8H10O3 — CID 5314614

IUPAC2-methoxy-3-methylcyclohex-2-ene-1,4-dione
SMILESCOC1=C(C)C(=O)CCC1=O
InChIInChI=1S/C8H10O3/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H2,1-2H3
InChIKeyWMBIPTYQYLTZNO-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds1

About 2-methoxy-3-methylcyclohex-2-ene-1,4-dione

2-methoxy-3-methylcyclohex-2-ene-1,4-dione (PubChem CID 5314614) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-methoxy-3-methylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-3-methylcyclohex-2-ene-1,4-dione
PubChem CID5314614
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-methoxy-3-methylcyclohex-2-ene-1,4-dione
SMILESCOC1=C(C)C(=O)CCC1=O
InChIInChI=1S/C8H10O3/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H2,1-2H3
InChIKeyWMBIPTYQYLTZNO-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxycyclohex-2-en-1-one
CID 130030041
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
2-iodo-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 135008418
2,3-dimethoxy-5-methylcyclohex-2-ene-1,4-dione
CID 121387263
4,7-dimethoxy-2,3,5,6-tetrahydroinden-1-one
CID 144506457
3-tert-butyl-2-methylcyclopent-2-en-1-one
CID 11084066
3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one
CID 169225392
(7aS)-4-methoxy-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
CID 125113732
6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 101414190
2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 24747264
3-methoxy-2-trimethylstannylcyclopent-2-en-1-one
CID 72701025
4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one
CID 15103017

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylcyclohex-2-ene-1,4-dione?
The IUPAC name of 2-methoxy-3-methylcyclohex-2-ene-1,4-dione (CID 5314614) is 2-methoxy-3-methylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 2-methoxy-3-methylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 2-methoxy-3-methylcyclohex-2-ene-1,4-dione is COC1=C(C)C(=O)CCC1=O.
What is the InChIKey of 2-methoxy-3-methylcyclohex-2-ene-1,4-dione?
The InChIKey is WMBIPTYQYLTZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H2,1-2H3.
What are the key properties of 2-methoxy-3-methylcyclohex-2-ene-1,4-dione?
2-methoxy-3-methylcyclohex-2-ene-1,4-dione has a molecular weight of 154.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 5314614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).