(3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one

C8H12O3 — CID 102158780

IUPAC(3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one
SMILESCO/C(C)=C1\CC(C)OC1=O
InChIInChI=1S/C8H12O3/c1-5-4-7(6(2)10-3)8(9)11-5/h5H,4H2,1-3H3/b7-6+
InChIKeyUEYLBPIXAUIRSJ-VOTSOKGWSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds1

About (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one

(3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one (PubChem CID 102158780) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one
PubChem CID102158780
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one
SMILESCO/C(C)=C1\CC(C)OC1=O
InChIInChI=1S/C8H12O3/c1-5-4-7(6(2)10-3)8(9)11-5/h5H,4H2,1-3H3/b7-6+
InChIKeyUEYLBPIXAUIRSJ-VOTSOKGWSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793
Berkedienolactone
CID 57379199
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
(3Z,5R)-3-[(E)-4-methyl-8-oxonon-4-enylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
CID 163046820
Methyl 2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12448914
2(3H)-Furanone, 3-(dihydro-2(3H)-furanylidene)dihydro-
CID 5369034
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-methylene-, ethyl ester
CID 11116447
ethyl (2E)-2-(oxolan-2-ylidene)butanoate
CID 11344407
ethyl (2E)-2-(oxolan-2-ylidene)propanoate
CID 12101790

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one?
The IUPAC name of (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one (CID 102158780) is (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one.
What is the SMILES notation for (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one?
The canonical SMILES for (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one is CO/C(C)=C1\CC(C)OC1=O.
What is the InChIKey of (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one?
The InChIKey is UEYLBPIXAUIRSJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-4-7(6(2)10-3)8(9)11-5/h5H,4H2,1-3H3/b7-6+.
What are the key properties of (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one?
(3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-methoxyethylidene)-5-methyloxolan-2-one is sourced from PubChem (CID 102158780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).