methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate

C11H14O5 — CID 15437551

IUPACmethyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)C1(C)OCCOC1c1ccco1
InChIInChI=1S/C11H14O5/c1-11(10(12)13-2)9(15-6-7-16-11)8-4-3-5-14-8/h3-5,9H,6-7H2,1-2H3
InChIKeySEVHLJJYMXTZTG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.30
Rot. Bonds2

About methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate

methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate (PubChem CID 15437551) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate
PubChem CID15437551
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)C1(C)OCCOC1c1ccco1
InChIInChI=1S/C11H14O5/c1-11(10(12)13-2)9(15-6-7-16-11)8-4-3-5-14-8/h3-5,9H,6-7H2,1-2H3
InChIKeySEVHLJJYMXTZTG-UHFFFAOYSA-N
XLogP1.30
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(furan-2-yl)-2-methyloxirane-2-carboxylate
CID 13177121
methyl (1S,2S,4S,5S)-2-(furan-2-yl)-4-hydroxy-8-oxobicyclo[3.2.1]octane-1-carboxylate
CID 10683010
methyl (3S,4S)-3-amino-4-(furan-2-yl)-1-methylpyrrolidine-3-carboxylate
CID 101485189
methyl (3S,4R)-3-amino-4-(furan-2-yl)-1-methylpyrrolidine-3-carboxylate
CID 101485192
methyl (1R,3S,3aR,6aS)-1-(furan-2-yl)-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7400057
methyl (1R,6R)-4-amino-6-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate
CID 51970580
methyl (4S,5R)-4-benzyl-5-(furan-2-yl)-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327741
N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779347
methyl (4S)-4-(furan-2-yl)-2-hydroxy-5-oxo-3,4-dihydropyrano[3,2-c]chromene-2-carboxylate
CID 46914999
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863
methyl (1R,3S,3aS,6aS)-1-(furan-2-yl)-5-methyl-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7400508
2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethylpyrrolidin-3-yl]ethanone
CID 141236194

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate?
The IUPAC name of methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate (CID 15437551) is methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate.
What is the SMILES notation for methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate?
The canonical SMILES for methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate is COC(=O)C1(C)OCCOC1c1ccco1.
What is the InChIKey of methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate?
The InChIKey is SEVHLJJYMXTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-11(10(12)13-2)9(15-6-7-16-11)8-4-3-5-14-8/h3-5,9H,6-7H2,1-2H3.
What are the key properties of methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate?
methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-yl)-2-methyl-1,4-dioxane-2-carboxylate is sourced from PubChem (CID 15437551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).