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

C8H10O5 — CID 14297381

IUPAC(2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate
SMILESCOC(=O)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C8H10O5/c1-4-6(9)7(5(2)12-4)13-8(10)11-3/h4H,1-3H3
InChIKeyPLOVEJCHRWTSKI-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.99
Rot. Bonds1

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

(2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate (PubChem CID 14297381) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate.

Molecular Properties

Compound Name(2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate
PubChem CID14297381
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate
SMILESCOC(=O)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C8H10O5/c1-4-6(9)7(5(2)12-4)13-8(10)11-3/h4H,1-3H3
InChIKeyPLOVEJCHRWTSKI-UHFFFAOYSA-N
XLogP0.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate?
The IUPAC name of (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate (CID 14297381) is (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate.
What is the SMILES notation for (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate?
The canonical SMILES for (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate is COC(=O)OC1=C(C)OC(C)C1=O.
What is the InChIKey of (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate?
The InChIKey is PLOVEJCHRWTSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-4-6(9)7(5(2)12-4)13-8(10)11-3/h4H,1-3H3.
What are the key properties of (2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate?
(2,5-dimethyl-4-oxofuran-3-yl) methyl carbonate has a molecular weight of 186.16 g/mol, XLogP of 0.99, 1 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) methyl carbonate is sourced from PubChem (CID 14297381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).