ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate

C14H20O5 — CID 139257408

IUPACethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate
SMILESC/C=C/C1=C(C(=O)OCC)CC(CC(=O)OCC)O1
InChIInChI=1S/C14H20O5/c1-4-7-12-11(14(16)18-6-3)8-10(19-12)9-13(15)17-5-2/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyGCTMKXVFHMKDTM-QPJJXVBHSA-N
MW268.31 g/mol
LogP2.12
Rot. Bonds6

About ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate

ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate (PubChem CID 139257408) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate
PubChem CID139257408
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate
SMILESC/C=C/C1=C(C(=O)OCC)CC(CC(=O)OCC)O1
InChIInChI=1S/C14H20O5/c1-4-7-12-11(14(16)18-6-3)8-10(19-12)9-13(15)17-5-2/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyGCTMKXVFHMKDTM-QPJJXVBHSA-N
XLogP2.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate with MolForge

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Related Compounds

[(4S,6Z,9E,11E)-3-(acetyloxymethyl)-6,10-dimethyl-2,8-dioxo-4,5-dihydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
CID 132489971
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Phomanone C
CID 146683520
Xylaripyone F
CID 170989624
Xylaripyone G
CID 170989625
Zrbiijnqslhraq-uhfffaoysa-
CID 11138069
Methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate
CID 14956101
3-Furancarboxylic acid, 5-ethenyl-4,5-dihydro-2-methyl-, methyl ester
CID 11829832
Ethyl 5-ethenyl-2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12573427
Ethyl 2-propyl-2,5-dihydrofuran-3-carboxylate
CID 44240895
Radianthin
CID 101417380
1-(5-oxo-2H-furan-4-yl)butyl acetate
CID 13902462

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate (CID 139257408) is ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate is C/C=C/C1=C(C(=O)OCC)CC(CC(=O)OCC)O1.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate?
The InChIKey is GCTMKXVFHMKDTM-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-7-12-11(14(16)18-6-3)8-10(19-12)9-13(15)17-5-2/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate?
ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 139257408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).