ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

C15H26O4 — CID 25100326

IUPACethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCCCC1C(C(=O)OCC)=C(C)OC1OC
InChIInChI=1S/C15H26O4/c1-5-7-8-9-10-12-13(14(16)18-6-2)11(3)19-15(12)17-4/h12,15H,5-10H2,1-4H3
InChIKeyKNQGIEMLXVCJRD-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.41
Rot. Bonds8

About ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 25100326) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID25100326
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nameethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCCCC1C(C(=O)OCC)=C(C)OC1OC
InChIInChI=1S/C15H26O4/c1-5-7-8-9-10-12-13(14(16)18-6-2)11(3)19-15(12)17-4/h12,15H,5-10H2,1-4H3
InChIKeyKNQGIEMLXVCJRD-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 25100326) is ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is CCCCCCC1C(C(=O)OCC)=C(C)OC1OC.
What is the InChIKey of ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is KNQGIEMLXVCJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-7-8-9-10-12-13(14(16)18-6-2)11(3)19-15(12)17-4/h12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hexyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 25100326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).