methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate

C11H16O3 — CID 135049676

IUPACmethyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate
SMILESC=C1C(C(=O)OC)=C(C)OC1(C)CC
InChIInChI=1S/C11H16O3/c1-6-11(4)7(2)9(8(3)14-11)10(12)13-5/h2,6H2,1,3-5H3
InChIKeyFWLIXRARDZRXNF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds2

About methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate

methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate (PubChem CID 135049676) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate
PubChem CID135049676
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate
SMILESC=C1C(C(=O)OC)=C(C)OC1(C)CC
InChIInChI=1S/C11H16O3/c1-6-11(4)7(2)9(8(3)14-11)10(12)13-5/h2,6H2,1,3-5H3
InChIKeyFWLIXRARDZRXNF-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate?
The IUPAC name of methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate (CID 135049676) is methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate is C=C1C(C(=O)OC)=C(C)OC1(C)CC.
What is the InChIKey of methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate?
The InChIKey is FWLIXRARDZRXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6-11(4)7(2)9(8(3)14-11)10(12)13-5/h2,6H2,1,3-5H3.
What are the key properties of methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate?
methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate is sourced from PubChem (CID 135049676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).