ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate

C17H26O5 — CID 11536878

IUPACethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OCC)=C(CCCOC2CCCCO2)O1
InChIInChI=1S/C17H26O5/c1-3-13-12-14(17(18)19-4-2)15(22-13)8-7-11-21-16-9-5-6-10-20-16/h3,13,16H,1,4-12H2,2H3
InChIKeyXKFXPJLYLVTCHN-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.10
Rot. Bonds8

About ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate

ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate (PubChem CID 11536878) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate
PubChem CID11536878
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Nameethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OCC)=C(CCCOC2CCCCO2)O1
InChIInChI=1S/C17H26O5/c1-3-13-12-14(17(18)19-4-2)15(22-13)8-7-11-21-16-9-5-6-10-20-16/h3,13,16H,1,4-12H2,2H3
InChIKeyXKFXPJLYLVTCHN-UHFFFAOYSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-ethyl-4-(oxan-2-yloxymethyl)-6-oxopyran-3-carboxylate
CID 10732689
Methyl 2-methyl-4-(oxan-2-yloxymethyl)-6-oxopyran-3-carboxylate
CID 10826731
[(4E)-2-methyl-8-(oxan-2-yloxy)octa-1,4-dien-3-yl] propanoate
CID 12986387
[2-Methyl-8-(oxan-2-yloxy)octa-1,4-dien-3-yl] propanoate
CID 69365242
Prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 142730232
Methyl prop-2-enoate;2-methylprop-2-enoyl 4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoate
CID 174809388
5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 10730743
(2S)-4-[(E,2R)-5-bromo-2-(oxan-2-yloxy)pent-4-enyl]-2-methyl-2H-furan-5-one
CID 10904077
methyl (3aS,7aS)-2-[4-(oxan-2-yloxy)butyl]-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 11078218
ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate
CID 25100333
(5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one
CID 25232648
(5S)-4-(methoxymethoxy)-3,5-bis(3-methylbut-2-enyl)-5-(oxan-2-yloxymethyl)furan-2-one
CID 25232649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate (CID 11536878) is ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate is C=CC1CC(C(=O)OCC)=C(CCCOC2CCCCO2)O1.
What is the InChIKey of ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate?
The InChIKey is XKFXPJLYLVTCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c1-3-13-12-14(17(18)19-4-2)15(22-13)8-7-11-21-16-9-5-6-10-20-16/h3,13,16H,1,4-12H2,2H3.
What are the key properties of ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate?
ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11536878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).