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

C13H22O5 — CID 154718717

IUPAC2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCOC1CC(C(=O)OCCOC)=C(C)O1
InChIInChI=1S/C13H22O5/c1-4-5-6-16-12-9-11(10(2)18-12)13(14)17-8-7-15-3/h12H,4-9H2,1-3H3
InChIKeyHNHGXOCBFGKNIW-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.01
Rot. Bonds8

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

2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 154718717) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID154718717
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCOC1CC(C(=O)OCCOC)=C(C)O1
InChIInChI=1S/C13H22O5/c1-4-5-6-16-12-9-11(10(2)18-12)13(14)17-8-7-15-3/h12H,4-9H2,1-3H3
InChIKeyHNHGXOCBFGKNIW-UHFFFAOYSA-N
XLogP2.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 154718717) is 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is CCCCOC1CC(C(=O)OCCOC)=C(C)O1.
What is the InChIKey of 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is HNHGXOCBFGKNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-4-5-6-16-12-9-11(10(2)18-12)13(14)17-8-7-15-3/h12H,4-9H2,1-3H3.
What are the key properties of 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 258.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 154718717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).