(2-acetyloxycyclopent-3-en-1-yl) acetate

C9H12O4 — CID 12696430

IUPAC(2-acetyloxycyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1C=CCC1OC(C)=O
InChIInChI=1S/C9H12O4/c1-6(10)12-8-4-3-5-9(8)13-7(2)11/h3-4,8-9H,5H2,1-2H3
InChIKeyBWWXGBGGLCDPCO-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.81
Rot. Bonds2

About (2-acetyloxycyclopent-3-en-1-yl) acetate

(2-acetyloxycyclopent-3-en-1-yl) acetate (PubChem CID 12696430) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2-acetyloxycyclopent-3-en-1-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxycyclopent-3-en-1-yl) acetate
PubChem CID12696430
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(2-acetyloxycyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1C=CCC1OC(C)=O
InChIInChI=1S/C9H12O4/c1-6(10)12-8-4-3-5-9(8)13-7(2)11/h3-4,8-9H,5H2,1-2H3
InChIKeyBWWXGBGGLCDPCO-UHFFFAOYSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxycyclopent-3-en-1-yl) acetate?
The IUPAC name of (2-acetyloxycyclopent-3-en-1-yl) acetate (CID 12696430) is (2-acetyloxycyclopent-3-en-1-yl) acetate.
What is the SMILES notation for (2-acetyloxycyclopent-3-en-1-yl) acetate?
The canonical SMILES for (2-acetyloxycyclopent-3-en-1-yl) acetate is CC(=O)OC1C=CCC1OC(C)=O.
What is the InChIKey of (2-acetyloxycyclopent-3-en-1-yl) acetate?
The InChIKey is BWWXGBGGLCDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-6(10)12-8-4-3-5-9(8)13-7(2)11/h3-4,8-9H,5H2,1-2H3.
What are the key properties of (2-acetyloxycyclopent-3-en-1-yl) acetate?
(2-acetyloxycyclopent-3-en-1-yl) acetate has a molecular weight of 184.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxycyclopent-3-en-1-yl) acetate is sourced from PubChem (CID 12696430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).