dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate

C9H12O5 — CID 15310424

IUPACdimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
SMILESCOC(=O)C1=C(C)OC(C(=O)OC)C1
InChIInChI=1S/C9H12O5/c1-5-6(8(10)12-2)4-7(14-5)9(11)13-3/h7H,4H2,1-3H3
InChIKeyIVOSSRQJQQKJFE-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.40
Rot. Bonds2

About dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate

dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate (PubChem CID 15310424) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
PubChem CID15310424
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namedimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
SMILESCOC(=O)C1=C(C)OC(C(=O)OC)C1
InChIInChI=1S/C9H12O5/c1-5-6(8(10)12-2)4-7(14-5)9(11)13-3/h7H,4H2,1-3H3
InChIKeyIVOSSRQJQQKJFE-UHFFFAOYSA-N
XLogP0.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 135021851
trimethyl (1S,2R)-3-methylcyclopent-3-ene-1,2,4-tricarboxylate
CID 135039154
methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
CID 58200009
methyl 3-methyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-carboxylate
CID 71439141
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 165466089
methyl (3R)-3-benzyl-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 135006357
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883
methyl 5-oxooxolane-2-carboxylate
CID 558879
methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10515162
methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 14089449
methyl 2-methylcyclobutene-1-carboxylate
CID 21107903

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate (CID 15310424) is dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate is COC(=O)C1=C(C)OC(C(=O)OC)C1.
What is the InChIKey of dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
The InChIKey is IVOSSRQJQQKJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-5-6(8(10)12-2)4-7(14-5)9(11)13-3/h7H,4H2,1-3H3.
What are the key properties of dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate has a molecular weight of 200.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate is sourced from PubChem (CID 15310424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).