ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate

C12H20O3 — CID 11052969

IUPACethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCC1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C12H20O3/c1-4-6-7-10-8-11(9(3)15-10)12(13)14-5-2/h10H,4-8H2,1-3H3
InChIKeyNSZVSTRNCSDBFP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.80
Rot. Bonds5

About ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate

ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 11052969) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID11052969
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCC1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C12H20O3/c1-4-6-7-10-8-11(9(3)15-10)12(13)14-5-2/h10H,4-8H2,1-3H3
InChIKeyNSZVSTRNCSDBFP-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 11052969) is ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate is CCCCC1CC(C(=O)OCC)=C(C)O1.
What is the InChIKey of ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is NSZVSTRNCSDBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-6-7-10-8-11(9(3)15-10)12(13)14-5-2/h10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate?
ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11052969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).