(2-acetyloxy-3-oxocyclopenten-1-yl) acetate

C9H10O5 — CID 141096138

IUPAC(2-acetyloxy-3-oxocyclopenten-1-yl) acetate
SMILESCC(=O)OC1=C(OC(C)=O)C(=O)CC1
InChIInChI=1S/C9H10O5/c1-5(10)13-8-4-3-7(12)9(8)14-6(2)11/h3-4H2,1-2H3
InChIKeyAWCNOFRWEQJVMN-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.69
Rot. Bonds2

About (2-acetyloxy-3-oxocyclopenten-1-yl) acetate

(2-acetyloxy-3-oxocyclopenten-1-yl) acetate (PubChem CID 141096138) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (2-acetyloxy-3-oxocyclopenten-1-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-3-oxocyclopenten-1-yl) acetate
PubChem CID141096138
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(2-acetyloxy-3-oxocyclopenten-1-yl) acetate
SMILESCC(=O)OC1=C(OC(C)=O)C(=O)CC1
InChIInChI=1S/C9H10O5/c1-5(10)13-8-4-3-7(12)9(8)14-6(2)11/h3-4H2,1-2H3
InChIKeyAWCNOFRWEQJVMN-UHFFFAOYSA-N
XLogP0.69
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dimethoxycyclopent-4-ene-1,3-dione
CID 10012131
2,3-Dimethoxycyclopent-2-en-1-one
CID 18551293
4,5-Diethoxy-4-cyclopentene-1,3-dione
CID 10954198
(3-Oxo-2-propanoyloxycyclopenten-1-yl) propanoate
CID 17924328
[2-(2-Methylpropanoyloxy)-3-oxocyclopenten-1-yl] 2-methylpropanoate
CID 17924337
(2-Hydroxy-3-oxocyclopenten-1-yl) acetate
CID 66829818
2,3-Bis[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 91077890
[2-(2-Methoxyacetyl)oxy-3-oxocyclopenten-1-yl] 2-methoxyacetate
CID 91350712
(2-Oct-3-enoyloxy-3-oxocyclopenten-1-yl) oct-3-enoate
CID 141096139
(3-Oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate
CID 141096141
1-O-methyl 2-O-(3-oxocyclopenten-1-yl) oxalate
CID 166696398
(3-Oxocyclopenten-1-yl) 2-oxopropanoate
CID 157326301

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-3-oxocyclopenten-1-yl) acetate?
The IUPAC name of (2-acetyloxy-3-oxocyclopenten-1-yl) acetate (CID 141096138) is (2-acetyloxy-3-oxocyclopenten-1-yl) acetate.
What is the SMILES notation for (2-acetyloxy-3-oxocyclopenten-1-yl) acetate?
The canonical SMILES for (2-acetyloxy-3-oxocyclopenten-1-yl) acetate is CC(=O)OC1=C(OC(C)=O)C(=O)CC1.
What is the InChIKey of (2-acetyloxy-3-oxocyclopenten-1-yl) acetate?
The InChIKey is AWCNOFRWEQJVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-5(10)13-8-4-3-7(12)9(8)14-6(2)11/h3-4H2,1-2H3.
What are the key properties of (2-acetyloxy-3-oxocyclopenten-1-yl) acetate?
(2-acetyloxy-3-oxocyclopenten-1-yl) acetate has a molecular weight of 198.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-3-oxocyclopenten-1-yl) acetate is sourced from PubChem (CID 141096138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).