ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate

C9H12O3 — CID 11116447

IUPACethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate
SMILESC=C1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C9H12O3/c1-4-11-9(10)8-5-6(2)12-7(8)3/h2,4-5H2,1,3H3
InChIKeyFNJJTCRDPIXDRK-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.76
Rot. Bonds2

About ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate

ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate (PubChem CID 11116447) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate
PubChem CID11116447
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Nameethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate
SMILESC=C1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C9H12O3/c1-4-11-9(10)8-5-6(2)12-7(8)3/h2,4-5H2,1,3H3
InChIKeyFNJJTCRDPIXDRK-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate (CID 11116447) is ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate is C=C1CC(C(=O)OCC)=C(C)O1.
What is the InChIKey of ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate?
The InChIKey is FNJJTCRDPIXDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-4-11-9(10)8-5-6(2)12-7(8)3/h2,4-5H2,1,3H3.
What are the key properties of ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate?
ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate has a molecular weight of 168.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate is sourced from PubChem (CID 11116447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).