methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

C11H18O4 — CID 10608663

IUPACmethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCOC1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C11H18O4/c1-4-5-6-14-10-7-9(8(2)15-10)11(12)13-3/h10H,4-7H2,1-3H3
InChIKeyOHYLKICJAAUROL-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.00
Rot. Bonds5

About methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10608663) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID10608663
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCOC1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C11H18O4/c1-4-5-6-14-10-7-9(8(2)15-10)11(12)13-3/h10H,4-7H2,1-3H3
InChIKeyOHYLKICJAAUROL-UHFFFAOYSA-N
XLogP2.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.00
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 methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 10608663) is methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is CCCCOC1CC(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is OHYLKICJAAUROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-5-6-14-10-7-9(8(2)15-10)11(12)13-3/h10H,4-7H2,1-3H3.
What are the key properties of methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10608663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).