3-methoxypropyl 5-acetylfuran-2-carboxylate

C11H14O5 — CID 90295960

IUPAC3-methoxypropyl 5-acetylfuran-2-carboxylate
SMILESCOCCCOC(=O)c1ccc(C(C)=O)o1
InChIInChI=1S/C11H14O5/c1-8(12)9-4-5-10(16-9)11(13)15-7-3-6-14-2/h4-5H,3,6-7H2,1-2H3
InChIKeyQOTZPKUHWRGISG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.68
Rot. Bonds6

About 3-methoxypropyl 5-acetylfuran-2-carboxylate

3-methoxypropyl 5-acetylfuran-2-carboxylate (PubChem CID 90295960) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-methoxypropyl 5-acetylfuran-2-carboxylate.

Molecular Properties

Compound Name3-methoxypropyl 5-acetylfuran-2-carboxylate
PubChem CID90295960
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-methoxypropyl 5-acetylfuran-2-carboxylate
SMILESCOCCCOC(=O)c1ccc(C(C)=O)o1
InChIInChI=1S/C11H14O5/c1-8(12)9-4-5-10(16-9)11(13)15-7-3-6-14-2/h4-5H,3,6-7H2,1-2H3
InChIKeyQOTZPKUHWRGISG-UHFFFAOYSA-N
XLogP1.68
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.68
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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Related Compounds

bis(6-methylheptyl) furan-2,5-dicarboxylate
CID 126569599
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532
3-methoxypropyl 4-sulfanylbenzoate
CID 107018239
4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 158601730
methane;4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 160656941
6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
CID 4926795
3-methoxypropyl 2-(4-sulfanylphenyl)acetate
CID 107018241
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate
CID 81100505
3-methoxypropyl 3-acetyl-5-methylbenzoate
CID 130466074
4-methoxybutyl 4-[3-(4-acetylphenyl)-3-oxopropanoyl]benzoate
CID 167610657
3-methoxypropyl 2-aminobenzoate
CID 61278385

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 5-acetylfuran-2-carboxylate?
The IUPAC name of 3-methoxypropyl 5-acetylfuran-2-carboxylate (CID 90295960) is 3-methoxypropyl 5-acetylfuran-2-carboxylate.
What is the SMILES notation for 3-methoxypropyl 5-acetylfuran-2-carboxylate?
The canonical SMILES for 3-methoxypropyl 5-acetylfuran-2-carboxylate is COCCCOC(=O)c1ccc(C(C)=O)o1.
What is the InChIKey of 3-methoxypropyl 5-acetylfuran-2-carboxylate?
The InChIKey is QOTZPKUHWRGISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-8(12)9-4-5-10(16-9)11(13)15-7-3-6-14-2/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 3-methoxypropyl 5-acetylfuran-2-carboxylate?
3-methoxypropyl 5-acetylfuran-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 5-acetylfuran-2-carboxylate is sourced from PubChem (CID 90295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).