4-oxopentyl 3-methylfuran-2-carboxylate

C11H14O4 — CID 78846678

IUPAC4-oxopentyl 3-methylfuran-2-carboxylate
SMILESCC(=O)CCCOC(=O)c1occc1C
InChIInChI=1S/C11H14O4/c1-8-5-7-14-10(8)11(13)15-6-3-4-9(2)12/h5,7H,3-4,6H2,1-2H3
InChIKeyOMHGMYYPFSKCGS-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.11
Rot. Bonds5

About 4-oxopentyl 3-methylfuran-2-carboxylate

4-oxopentyl 3-methylfuran-2-carboxylate (PubChem CID 78846678) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-oxopentyl 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name4-oxopentyl 3-methylfuran-2-carboxylate
PubChem CID78846678
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-oxopentyl 3-methylfuran-2-carboxylate
SMILESCC(=O)CCCOC(=O)c1occc1C
InChIInChI=1S/C11H14O4/c1-8-5-7-14-10(8)11(13)15-6-3-4-9(2)12/h5,7H,3-4,6H2,1-2H3
InChIKeyOMHGMYYPFSKCGS-UHFFFAOYSA-N
XLogP2.11
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.11
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

4-oxopentyl 2-methylbenzoate
CID 78846435
4-oxopentyl 3,4-dimethylbenzoate
CID 78846494
4-oxopentyl 2-chlorobenzoate
CID 78846434
(6-bromo-2-pyridinyl)methyl 3-methylfuran-2-carboxylate
CID 100768882
1-(3-methylfuran-2-yl)decan-1-one
CID 104799396
3-methylfuran-2-carbonyl iodide
CID 143843611
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
4-oxopentyl 2-acetyloxybenzoate
CID 89129205
cyclobutyl 3-methylfuran-2-carboxylate
CID 131114203
4-oxopentyl hydrogen carbonate
CID 59356220
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
CID 27198916
4-oxopentyl 4-(difluoromethoxy)benzoate
CID 78845641

Frequently Asked Questions

What is the IUPAC name of 4-oxopentyl 3-methylfuran-2-carboxylate?
The IUPAC name of 4-oxopentyl 3-methylfuran-2-carboxylate (CID 78846678) is 4-oxopentyl 3-methylfuran-2-carboxylate.
What is the SMILES notation for 4-oxopentyl 3-methylfuran-2-carboxylate?
The canonical SMILES for 4-oxopentyl 3-methylfuran-2-carboxylate is CC(=O)CCCOC(=O)c1occc1C.
What is the InChIKey of 4-oxopentyl 3-methylfuran-2-carboxylate?
The InChIKey is OMHGMYYPFSKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-5-7-14-10(8)11(13)15-6-3-4-9(2)12/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-oxopentyl 3-methylfuran-2-carboxylate?
4-oxopentyl 3-methylfuran-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentyl 3-methylfuran-2-carboxylate is sourced from PubChem (CID 78846678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).