(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate

C9H12O5 — CID 14297379

IUPAC(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C9H12O5/c1-4-12-9(11)14-8-6(3)13-5(2)7(8)10/h5H,4H2,1-3H3
InChIKeyAVJSAOBNPIMLKX-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.38
Rot. Bonds2

About (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate

(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate (PubChem CID 14297379) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate
PubChem CID14297379
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C9H12O5/c1-4-12-9(11)14-8-6(3)13-5(2)7(8)10/h5H,4H2,1-3H3
InChIKeyAVJSAOBNPIMLKX-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethyl-4-oxofuran-3-yl) methyliodanuidyl carbonate
CID 163522723
(2,5-dimethyl-4-oxofuran-3-yl) 2,2-dimethylbutanoate
CID 118262948
(5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate
CID 21465729
2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one
CID 118248588
2,5-dimethyl-4-(1-methylcyclohexyl)oxyfuran-3-one
CID 86190779
ethyl [3,8,9-tris(ethoxycarbonyloxy)-2-tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),2,4,6,8,10(14),11-heptaenyl] carbonate
CID 140957707
ethyl 3-amino-2-methyl-5-oxo-2H-furan-4-carboxylate
CID 15721679
ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
ethyl (2-methyl-3-oxo-1,2-dihydroinden-4-yl) carbonate
CID 22173381
CID 175796855
CID 175796855
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate?
The IUPAC name of (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate (CID 14297379) is (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate.
What is the SMILES notation for (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate?
The canonical SMILES for (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate is CCOC(=O)OC1=C(C)OC(C)C1=O.
What is the InChIKey of (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate?
The InChIKey is AVJSAOBNPIMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-4-12-9(11)14-8-6(3)13-5(2)7(8)10/h5H,4H2,1-3H3.
What are the key properties of (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate?
(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate has a molecular weight of 200.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate is sourced from PubChem (CID 14297379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).