(4-oxocyclohex-2-en-1-yl) acetate

C8H10O3 — CID 14228028

IUPAC(4-oxocyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(=O)CC1
InChIInChI=1S/C8H10O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2,4,8H,3,5H2,1H3
InChIKeyKBIDPOQYMJNQCH-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds1

About (4-oxocyclohex-2-en-1-yl) acetate

(4-oxocyclohex-2-en-1-yl) acetate (PubChem CID 14228028) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (4-oxocyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Name(4-oxocyclohex-2-en-1-yl) acetate
PubChem CID14228028
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(4-oxocyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(=O)CC1
InChIInChI=1S/C8H10O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2,4,8H,3,5H2,1H3
InChIKeyKBIDPOQYMJNQCH-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11109605
6-propyl-5,6-dihydro-2H-pyran-2-one
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2-Crotonyloxymethyl-2-cyclohexenone
CID 6439061
(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
CID 10678930
Ufcywvgymrdumx-pkvxpvjzsa-
CID 11601572
diethyl (E)-4-oxohept-2-enedioate
CID 44389472
(3E,6Z,8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-3,6,9-triene-2,5-dione
CID 134157703
(3E,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793
5-Butylfuran-2(5H)-one
CID 121779
Pyrenophorin
CID 5372417
CID 6444323
CID 6444323
2-But-3-enyl-2,3-dihydropyran-6-one
CID 76321909

Frequently Asked Questions

What is the IUPAC name of (4-oxocyclohex-2-en-1-yl) acetate?
The IUPAC name of (4-oxocyclohex-2-en-1-yl) acetate (CID 14228028) is (4-oxocyclohex-2-en-1-yl) acetate.
What is the SMILES notation for (4-oxocyclohex-2-en-1-yl) acetate?
The canonical SMILES for (4-oxocyclohex-2-en-1-yl) acetate is CC(=O)OC1C=CC(=O)CC1.
What is the InChIKey of (4-oxocyclohex-2-en-1-yl) acetate?
The InChIKey is KBIDPOQYMJNQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2,4,8H,3,5H2,1H3.
What are the key properties of (4-oxocyclohex-2-en-1-yl) acetate?
(4-oxocyclohex-2-en-1-yl) acetate has a molecular weight of 154.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 14228028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).