methyl 2,4-dimethylfuran-3-carboxylate

C8H10O3 — CID 13102221

IUPACmethyl 2,4-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)coc1C
InChIInChI=1S/C8H10O3/c1-5-4-11-6(2)7(5)8(9)10-3/h4H,1-3H3
InChIKeyMRYBBZRQMOLDQO-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.68
Rot. Bonds1

About methyl 2,4-dimethylfuran-3-carboxylate

methyl 2,4-dimethylfuran-3-carboxylate (PubChem CID 13102221) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 2,4-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethylfuran-3-carboxylate
PubChem CID13102221
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 2,4-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)coc1C
InChIInChI=1S/C8H10O3/c1-5-4-11-6(2)7(5)8(9)10-3/h4H,1-3H3
InChIKeyMRYBBZRQMOLDQO-UHFFFAOYSA-N
XLogP1.68
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 2,4-dimethylfuran-3-carboxylate
CID 126987964
cyanomethyl 2,4-dimethylfuran-3-carboxylate
CID 130718998
methyl 3,5-dimethyl-4-oxopyran-2-carboxylate
CID 11126890
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate
CID 11172591
methyl 4-[(4-bromophenyl)methyl]-2-methylfuran-3-carboxylate
CID 11738390
N-ethyl-N,2,4-trimethylfuran-3-carboxamide
CID 131084548
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
methyl 7-bromo-3-methyl-1-benzofuran-5-carboxylate
CID 139561433
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
dimethyl 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186952

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 2,4-dimethylfuran-3-carboxylate (CID 13102221) is methyl 2,4-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethylfuran-3-carboxylate is COC(=O)c1c(C)coc1C.
What is the InChIKey of methyl 2,4-dimethylfuran-3-carboxylate?
The InChIKey is MRYBBZRQMOLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-4-11-6(2)7(5)8(9)10-3/h4H,1-3H3.
What are the key properties of methyl 2,4-dimethylfuran-3-carboxylate?
methyl 2,4-dimethylfuran-3-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethylfuran-3-carboxylate is sourced from PubChem (CID 13102221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).