ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate

C10H14O3 — CID 12573427

IUPACethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h4,8H,1,5-6H2,2-3H3
InChIKeySFIUKMNMKAFHNX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds3

About ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate

ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 12573427) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID12573427
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h4,8H,1,5-6H2,2-3H3
InChIKeySFIUKMNMKAFHNX-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tuberatolide A
CID 50993673
Harzianolide
CID 15719532
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Manshurolide
CID 14527198
(3E,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Neo-aristolactone
CID 5315198
3-[(2E,4E)-hexa-2,4-dienyl]-4-(2-hydroxypropyl)-2H-uran-5-one
CID 101558908
Berkedienolactone
CID 57379199
5-(E)-But-2-enylidene-3-propyl-5H-furan-2-one
CID 10035170
4-Hexa-2,4-dienyl-3-(2-hydroxy-propyl)-5h-furan-2-one
CID 71341191
3-methyl-2-(3-oxobutyl)-2H-furan-5-one
CID 86168064

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 12573427) is ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate is C=CC1CC(C(=O)OCC)=C(C)O1.
What is the InChIKey of ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is SFIUKMNMKAFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h4,8H,1,5-6H2,2-3H3.
What are the key properties of ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 12573427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).