methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate

C10H14O5 — CID 163110789

IUPACmethyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate
SMILESCOC(=O)CC1(OC)OC(=O)C(C)=C1C
InChIInChI=1S/C10H14O5/c1-6-7(2)10(14-4,15-9(6)12)5-8(11)13-3/h5H2,1-4H3
InChIKeyLJCCXBHKRHAZGR-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.79
Rot. Bonds3

About methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate

methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate (PubChem CID 163110789) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate
PubChem CID163110789
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate
SMILESCOC(=O)CC1(OC)OC(=O)C(C)=C1C
InChIInChI=1S/C10H14O5/c1-6-7(2)10(14-4,15-9(6)12)5-8(11)13-3/h5H2,1-4H3
InChIKeyLJCCXBHKRHAZGR-UHFFFAOYSA-N
XLogP0.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Grifolaone A
CID 139584363
4-Carboxymethyl-2,3-dimethylbut-2-en-1,4
CID 85713729
1-Cyclobutene-1-carboxylic acid, 4,4-diethoxy-, ethyl ester
CID 10608664
Methyl 4,4-diethoxycyclobut-1-ene-1-carboxylate
CID 15000725
2-(3,4-dimethyl-5-oxo-2H-uran-2-yl)acetic acid
CID 130841450
Dimethyl 2,2-dimethoxy-7-oxo-1,6-dioxaspiro[4.4]non-3-ene-3,4-dicarboxylate
CID 73069438
2,2,6-Trimethyl-5-propionyl-[1,3]dioxin-4-one
CID 10726613
Dimethyl 1-ethyl-5,6-dioxabicyclo[2.1.1]hex-2-ene-2,3-dicarboxylate
CID 164080283
Methyl 3,3-dimethoxy-2-propan-2-ylidenehexanoate
CID 174470023
Methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate
CID 10660893
dimethyl (5S)-2,2-dimethoxy-7-oxo-1,6-dioxaspiro[4.4]non-3-ene-3,4-dicarboxylate
CID 11709460
Tert-butyl 3-(methoxymethoxy)-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 11781545

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate?
The IUPAC name of methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate (CID 163110789) is methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate?
The canonical SMILES for methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate is COC(=O)CC1(OC)OC(=O)C(C)=C1C.
What is the InChIKey of methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate?
The InChIKey is LJCCXBHKRHAZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6-7(2)10(14-4,15-9(6)12)5-8(11)13-3/h5H2,1-4H3.
What are the key properties of methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate?
methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate has a molecular weight of 214.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)acetate is sourced from PubChem (CID 163110789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).