methyl 2-(5-methylfuran-3-yl)acetate

C8H10O3 — CID 58942853

IUPACmethyl 2-(5-methylfuran-3-yl)acetate
SMILESCOC(=O)Cc1coc(C)c1
InChIInChI=1S/C8H10O3/c1-6-3-7(5-11-6)4-8(9)10-2/h3,5H,4H2,1-2H3
InChIKeyURZBXOSAQJHIIY-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.30
Rot. Bonds2

About methyl 2-(5-methylfuran-3-yl)acetate

methyl 2-(5-methylfuran-3-yl)acetate (PubChem CID 58942853) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 2-(5-methylfuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methylfuran-3-yl)acetate
PubChem CID58942853
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 2-(5-methylfuran-3-yl)acetate
SMILESCOC(=O)Cc1coc(C)c1
InChIInChI=1S/C8H10O3/c1-6-3-7(5-11-6)4-8(9)10-2/h3,5H,4H2,1-2H3
InChIKeyURZBXOSAQJHIIY-UHFFFAOYSA-N
XLogP1.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-furanpropionate
CID 61450
Isoamyl 3-(2-furan)propionate
CID 538506
2-Acetyl-3,5-dimethylfuran
CID 579675
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
Isoamyl 4-(2-furan)butyrate
CID 68968644
5-Acetoxymethyl-2-furaldehyde
CID 66349
Methyl 3-methyl-2-furoate
CID 350231
1-(3-Methyl-2-furanyl)ethanone
CID 12281224
Ethyl 3-(furan-3-yl)-3-oxopropanoate
CID 336409
4,5-Dimethyl-2-furaldehyde
CID 643406
(5-Formylfuran-2-yl)methyl 4-hydroxy-2-methylenebutanoate
CID 72694197
Ethyl 6-(furan-2-yl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 659443

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylfuran-3-yl)acetate?
The IUPAC name of methyl 2-(5-methylfuran-3-yl)acetate (CID 58942853) is methyl 2-(5-methylfuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-methylfuran-3-yl)acetate?
The canonical SMILES for methyl 2-(5-methylfuran-3-yl)acetate is COC(=O)Cc1coc(C)c1.
What is the InChIKey of methyl 2-(5-methylfuran-3-yl)acetate?
The InChIKey is URZBXOSAQJHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6-3-7(5-11-6)4-8(9)10-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(5-methylfuran-3-yl)acetate?
methyl 2-(5-methylfuran-3-yl)acetate has a molecular weight of 154.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylfuran-3-yl)acetate is sourced from PubChem (CID 58942853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).