(5-methoxy-4-oxocyclopent-2-en-1-yl) acetate

C8H10O4 — CID 14597326

IUPAC(5-methoxy-4-oxocyclopent-2-en-1-yl) acetate
SMILESCOC1C(=O)C=CC1OC(C)=O
InChIInChI=1S/C8H10O4/c1-5(9)12-7-4-3-6(10)8(7)11-2/h3-4,7-8H,1-2H3
InChIKeyYMURQPTVMNZHKI-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.07
Rot. Bonds2

About (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate

(5-methoxy-4-oxocyclopent-2-en-1-yl) acetate (PubChem CID 14597326) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(5-methoxy-4-oxocyclopent-2-en-1-yl) acetate
PubChem CID14597326
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(5-methoxy-4-oxocyclopent-2-en-1-yl) acetate
SMILESCOC1C(=O)C=CC1OC(C)=O
InChIInChI=1S/C8H10O4/c1-5(9)12-7-4-3-6(10)8(7)11-2/h3-4,7-8H,1-2H3
InChIKeyYMURQPTVMNZHKI-UHFFFAOYSA-N
XLogP0.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta(d)(1,3)dioxol-4-one
CID 10997245
[(2S)-5-oxo-2H-pyran-2-yl]methyl acetate
CID 145173441
(3aS,6aS)-3a,6a-dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
CID 10154155
[(2S)-5-oxo-2H-pyran-2-yl]methyl butanoate
CID 145962393
4-Oxocyclopent-2-en-1-yl acetate
CID 343117
(4R)-4-(Acetyloxy)-2-cyclopenten-1-one
CID 9877391
[(1S,5R)-5-acetyloxy-4-oxo-2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl] acetate
CID 10879166
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305412
2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 13700992
ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate
CID 134593230
ethyl (Z)-3-[(4S,5S)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11299489
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-5-oxocyclopent-3-en-1-yl] acetate
CID 53235650

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate?
The IUPAC name of (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate (CID 14597326) is (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate?
The canonical SMILES for (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate is COC1C(=O)C=CC1OC(C)=O.
What is the InChIKey of (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate?
The InChIKey is YMURQPTVMNZHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(9)12-7-4-3-6(10)8(7)11-2/h3-4,7-8H,1-2H3.
What are the key properties of (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate?
(5-methoxy-4-oxocyclopent-2-en-1-yl) acetate has a molecular weight of 170.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-4-oxocyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 14597326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).