ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate

C11H16O3 — CID 13461353

IUPACethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate
SMILESCCOC(=O)C1=CCC(C)(C2CC2)O1
InChIInChI=1S/C11H16O3/c1-3-13-10(12)9-6-7-11(2,14-9)8-4-5-8/h6,8H,3-5,7H2,1-2H3
InChIKeyMDXTYGTWLFWZQH-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.02
Rot. Bonds3

About ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate

ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate (PubChem CID 13461353) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate
PubChem CID13461353
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate
SMILESCCOC(=O)C1=CCC(C)(C2CC2)O1
InChIInChI=1S/C11H16O3/c1-3-13-10(12)9-6-7-11(2,14-9)8-4-5-8/h6,8H,3-5,7H2,1-2H3
InChIKeyMDXTYGTWLFWZQH-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate (CID 13461353) is ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate is CCOC(=O)C1=CCC(C)(C2CC2)O1.
What is the InChIKey of ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate?
The InChIKey is MDXTYGTWLFWZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-13-10(12)9-6-7-11(2,14-9)8-4-5-8/h6,8H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate?
ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-methyl-3H-furan-5-carboxylate is sourced from PubChem (CID 13461353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).