(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one

C10H14O3 — CID 11008560

IUPAC(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one
SMILESCCC1C/C(=C2/CCCO2)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-7-6-8(10(11)13-7)9-4-3-5-12-9/h7H,2-6H2,1H3/b9-8+
InChIKeyOLQPLJNCZMLHTG-CMDGGOBGSA-N
MW182.22 g/mol
LogP1.78
Rot. Bonds1

About (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one

(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one (PubChem CID 11008560) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one
PubChem CID11008560
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one
SMILESCCC1C/C(=C2/CCCO2)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-7-6-8(10(11)13-7)9-4-3-5-12-9/h7H,2-6H2,1H3/b9-8+
InChIKeyOLQPLJNCZMLHTG-CMDGGOBGSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
(3E,5R)-3-[(5S)-5-ethyloxolan-2-ylidene]-5-methyloxolane-2,4-dione
CID 21151019
Terrestric acid
CID 3035039
4-Methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one
CID 281859
(3Z)-4-methyl-3-(4-methyltetrahydrofuran-2-ylidene)tetrahydrofuran-2-one
CID 5382217
3-(5-Ethyloxolan-2-ylidene)-5-methyloxolane-2,4-dione
CID 73744855
2(3H)-Furanone, 3-(dihydro-2(3H)-furanylidene)dihydro-
CID 5369034
2(3H)-Furanone, dihydro-5-(1-methylethyl)-3-(1-methylethylidene)-
CID 188459
Methyl 2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylate
CID 91444841
(3Z)-3-(oxolan-2-ylidene)oxolan-2-one
CID 5383499
3-(Oxolan-2-ylidene)oxolan-2-one
CID 298789

Frequently Asked Questions

What is the IUPAC name of (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one?
The IUPAC name of (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one (CID 11008560) is (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one.
What is the SMILES notation for (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one?
The canonical SMILES for (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one is CCC1C/C(=C2/CCCO2)C(=O)O1.
What is the InChIKey of (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one?
The InChIKey is OLQPLJNCZMLHTG-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-7-6-8(10(11)13-7)9-4-3-5-12-9/h7H,2-6H2,1H3/b9-8+.
What are the key properties of (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one?
(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one is sourced from PubChem (CID 11008560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).