2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate

C12H18O4 — CID 78832560

IUPAC2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate
SMILESCCOCCOC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C12H18O4/c1-5-14-6-7-15-12(13)11-8(2)9(3)16-10(11)4/h5-7H2,1-4H3
InChIKeyXVBIKMOTCHMXKW-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.40
Rot. Bonds5

About 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate

2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate (PubChem CID 78832560) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate
PubChem CID78832560
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate
SMILESCCOCCOC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C12H18O4/c1-5-14-6-7-15-12(13)11-8(2)9(3)16-10(11)4/h5-7H2,1-4H3
InChIKeyXVBIKMOTCHMXKW-UHFFFAOYSA-N
XLogP2.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.40
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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Related Compounds

2-ethoxy-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 115783034
ethyl 2,4-dimethyl-5-[(2R)-2-(2,4,5-trimethylfuran-3-carbonyl)oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 40730605
propan-2-yl 2,4,5-trimethylfuran-3-carboxylate
CID 60704456
ethyl 4-methyl-2-oxo-6-[(2,4,5-trimethylfuran-3-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 17425463
ethyl 5-(2,4-dioxoheptyl)-2,4-dimethylfuran-3-carboxylate
CID 86201839
bis(2-ethoxyethyl) 3,4-dihydroxythiophene-2,5-dicarboxylate
CID 54738622
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-ethoxyethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 55354978
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
ethyl 4-amino-2,3,5,6-tetramethylbenzoate
CID 154639052
dipentyl 3,4,5,6-tetramethylbenzene-1,2-dicarboxylate
CID 122444784
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate?
The IUPAC name of 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate (CID 78832560) is 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate?
The canonical SMILES for 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate is CCOCCOC(=O)c1c(C)oc(C)c1C.
What is the InChIKey of 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate?
The InChIKey is XVBIKMOTCHMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-5-14-6-7-15-12(13)11-8(2)9(3)16-10(11)4/h5-7H2,1-4H3.
What are the key properties of 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate?
2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate has a molecular weight of 226.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2,4,5-trimethylfuran-3-carboxylate is sourced from PubChem (CID 78832560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).