prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

C11H16O4 — CID 142730232

IUPACprop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CCOC(=O)C1=C(C)OC(OCC)C1
InChIInChI=1S/C11H16O4/c1-4-6-14-11(12)9-7-10(13-5-2)15-8(9)3/h4,10H,1,5-7H2,2-3H3
InChIKeyFQMIBLFSQKOZOT-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.77
Rot. Bonds5

About prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 142730232) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID142730232
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameprop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CCOC(=O)C1=C(C)OC(OCC)C1
InChIInChI=1S/C11H16O4/c1-4-6-14-11(12)9-7-10(13-5-2)15-8(9)3/h4,10H,1,5-7H2,2-3H3
InChIKeyFQMIBLFSQKOZOT-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-[(E)-(2-oxooxolan-3-ylidene)methoxy]furan-2-one
CID 6256255
Ethyl 4,5-dihydro-5-methoxy-2,4-dimethyl-3-furancarboxylate
CID 3079047
Dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate
CID 624179
Ethyl 5-butoxy-2-methyl-4,5-dihydro-3-furancarboxylate
CID 12789037
Ethyl 5-ethoxy-2-methyl-4,5-dihydrofuran-3-carboxylate
CID 13572031
Ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
CID 11289040
Ethyl 5-(acetyloxy)-2-methyl-4,5-dihydro-3-furancarboxylate
CID 14741142
Methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 10608663
ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate
CID 10856120
(E)-Ethyl 2-(5-ethoxydihydrofuran-3(2H)-ylidene)acetate
CID 45093891
2-Methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 154718717
Tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
CID 11822082

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 142730232) is prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is C=CCOC(=O)C1=C(C)OC(OCC)C1.
What is the InChIKey of prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is FQMIBLFSQKOZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-6-14-11(12)9-7-10(13-5-2)15-8(9)3/h4,10H,1,5-7H2,2-3H3.
What are the key properties of prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 142730232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).