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

C12H16O5 — CID 73083558

IUPAC(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate
SMILESCCCC1=CC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H16O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h6,11-12H,4-5H2,1-3H3
InChIKeyWLSDLBZHCOHBHX-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.16
Rot. Bonds4

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

(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate (PubChem CID 73083558) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate
PubChem CID73083558
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate
SMILESCCCC1=CC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H16O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h6,11-12H,4-5H2,1-3H3
InChIKeyWLSDLBZHCOHBHX-UHFFFAOYSA-N
XLogP1.16
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Kcg 10
CID 126849
[(2S)-5-oxo-2H-pyran-2-yl]methyl octanoate
CID 145961807
(3E,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione
CID 56660110
[(4S,5S,7Z,10R,11R)-7-methyl-6,9,13-trioxo-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-dien-5-yl] acetate
CID 11560083
[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate
CID 44376218
[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl butanoate
CID 44376483
Diacetyldihydroterrein
CID 11746725
[(4S,10E,11aR)-4-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl]methyl acetate
CID 14137557
(4-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl)methyl acetate
CID 162968314
[(1S,5R)-5-acetyloxy-4-oxo-2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl] acetate
CID 10879166
[6-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-2-yl]methyl acetate
CID 14802848
[(2S,6R)-6-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-2-yl]methyl acetate
CID 14802849

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate (CID 73083558) is (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate is CCCC1=CC(=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
The InChIKey is WLSDLBZHCOHBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h6,11-12H,4-5H2,1-3H3.
What are the key properties of (5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate?
(5-acetyloxy-4-oxo-2-propylcyclopent-2-en-1-yl) acetate has a molecular weight of 240.25 g/mol, XLogP of 1.16, 4 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-propylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 73083558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).