4,5-dimethoxycyclopent-2-en-1-one

C7H10O3 — CID 18736372

IUPAC4,5-dimethoxycyclopent-2-en-1-one
SMILESCOC1C=CC(=O)C1OC
InChIInChI=1S/C7H10O3/c1-9-6-4-3-5(8)7(6)10-2/h3-4,6-7H,1-2H3
InChIKeyZCHYYANAWKZYHG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.16
Rot. Bonds2

About 4,5-dimethoxycyclopent-2-en-1-one

4,5-dimethoxycyclopent-2-en-1-one (PubChem CID 18736372) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4,5-dimethoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4,5-dimethoxycyclopent-2-en-1-one
PubChem CID18736372
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4,5-dimethoxycyclopent-2-en-1-one
SMILESCOC1C=CC(=O)C1OC
InChIInChI=1S/C7H10O3/c1-9-6-4-3-5(8)7(6)10-2/h3-4,6-7H,1-2H3
InChIKeyZCHYYANAWKZYHG-UHFFFAOYSA-N
XLogP0.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta(d)(1,3)dioxol-4-one
CID 10997245
2-Cyclopenten-1-one, 4-methoxy-
CID 543069
(3aS,6aS)-3a,6a-dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
CID 10154155
2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 13700992
4-Propan-2-yloxycyclopent-2-en-1-one
CID 15143065
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-5-oxocyclopent-3-en-1-yl] acetate
CID 53235650
(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one
CID 14434981
[5-(2-Methylpropanoyloxy)-4-oxocyclopent-2-en-1-yl] 2-methylpropanoate
CID 9881502
4-O-[5-[(E)-4-methoxy-4-oxobut-2-enoyl]oxy-4-oxocyclopent-2-en-1-yl] 1-O-methyl (E)-but-2-enedioate
CID 9949721
(4-Oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate
CID 10176905
4,5-Bis[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 10176914
[5-(2-Methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate
CID 10199038

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxycyclopent-2-en-1-one?
The IUPAC name of 4,5-dimethoxycyclopent-2-en-1-one (CID 18736372) is 4,5-dimethoxycyclopent-2-en-1-one.
What is the SMILES notation for 4,5-dimethoxycyclopent-2-en-1-one?
The canonical SMILES for 4,5-dimethoxycyclopent-2-en-1-one is COC1C=CC(=O)C1OC.
What is the InChIKey of 4,5-dimethoxycyclopent-2-en-1-one?
The InChIKey is ZCHYYANAWKZYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-6-4-3-5(8)7(6)10-2/h3-4,6-7H,1-2H3.
What are the key properties of 4,5-dimethoxycyclopent-2-en-1-one?
4,5-dimethoxycyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxycyclopent-2-en-1-one is sourced from PubChem (CID 18736372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).