(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate

C12H14O5 — CID 75168992

IUPAC(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate
SMILESCC=CC1=CC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H14O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h4-6,11-12H,1-3H3
InChIKeySJZZHELEKZVTPC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.94
Rot. Bonds3

About (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate

(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate (PubChem CID 75168992) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate
PubChem CID75168992
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate
SMILESCC=CC1=CC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H14O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h4-6,11-12H,1-3H3
InChIKeySJZZHELEKZVTPC-UHFFFAOYSA-N
XLogP0.94
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 131843119
[4-acetyloxy-3,6-bis[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-yl] acetate
CID 130253073
[(1S)-2-formyl-4-oxocyclopent-2-en-1-yl] acetate
CID 22812774
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
CID 22382233
methyl (1R,5R)-5-chloro-1-hydroxy-4-oxo-2-prop-1-enylcyclopent-2-ene-1-carboxylate
CID 162955570
(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid
CID 131142787
[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
[(2S,3S)-2-tert-butyl-4-oxo-1-phenylsulfanylazetidin-3-yl] acetate
CID 102078291
[(2S,3S)-6-oxo-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] acetate
CID 10058507
[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
CID 102222775
[(1R,2R,7R,8aR)-8a-hydroxy-1-methyl-3-oxo-7-prop-1-en-2-yl-1,2,5,6,7,8-hexahydronaphthalen-2-yl] acetate
CID 162888455

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate (CID 75168992) is (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate is CC=CC1=CC(=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate?
The InChIKey is SJZZHELEKZVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h4-6,11-12H,1-3H3.
What are the key properties of (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate?
(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate has a molecular weight of 238.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 75168992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).