propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate

C11H16O3 — CID 139747350

IUPACpropan-2-yl 5-ethyl-2-methylfuran-3-carboxylate
SMILESCCc1cc(C(=O)OC(C)C)c(C)o1
InChIInChI=1S/C11H16O3/c1-5-9-6-10(8(4)14-9)11(12)13-7(2)3/h6-7H,5H2,1-4H3
InChIKeyHDAAKKXGIBBQHG-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.72
Rot. Bonds3

About propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate

propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate (PubChem CID 139747350) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-ethyl-2-methylfuran-3-carboxylate
PubChem CID139747350
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namepropan-2-yl 5-ethyl-2-methylfuran-3-carboxylate
SMILESCCc1cc(C(=O)OC(C)C)c(C)o1
InChIInChI=1S/C11H16O3/c1-5-9-6-10(8(4)14-9)11(12)13-7(2)3/h6-7H,5H2,1-4H3
InChIKeyHDAAKKXGIBBQHG-UHFFFAOYSA-N
XLogP2.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate (CID 139747350) is propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate is CCc1cc(C(=O)OC(C)C)c(C)o1.
What is the InChIKey of propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate?
The InChIKey is HDAAKKXGIBBQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-9-6-10(8(4)14-9)11(12)13-7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate?
propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate is sourced from PubChem (CID 139747350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).