ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate

C11H18O5 — CID 21437423

IUPACethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate
SMILESCCOC(=O)CCC1(OC)C=CC(OC)O1
InChIInChI=1S/C11H18O5/c1-4-15-9(12)5-7-11(14-3)8-6-10(13-2)16-11/h6,8,10H,4-5,7H2,1-3H3
InChIKeyYBKNBUBELHGUDE-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.23
Rot. Bonds6

About ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate

ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate (PubChem CID 21437423) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate
PubChem CID21437423
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate
SMILESCCOC(=O)CCC1(OC)C=CC(OC)O1
InChIInChI=1S/C11H18O5/c1-4-15-9(12)5-7-11(14-3)8-6-10(13-2)16-11/h6,8,10H,4-5,7H2,1-3H3
InChIKeyYBKNBUBELHGUDE-UHFFFAOYSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
The IUPAC name of ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate (CID 21437423) is ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
The canonical SMILES for ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate is CCOC(=O)CCC1(OC)C=CC(OC)O1.
What is the InChIKey of ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
The InChIKey is YBKNBUBELHGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-15-9(12)5-7-11(14-3)8-6-10(13-2)16-11/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate?
ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate has a molecular weight of 230.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-dimethoxy-2H-furan-5-yl)propanoate is sourced from PubChem (CID 21437423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).