2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate

C9H12O6 — CID 163643795

IUPAC2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate
SMILESCOCCOC(=O)OC1=CC(=O)OC1C
InChIInChI=1S/C9H12O6/c1-6-7(5-8(10)14-6)15-9(11)13-4-3-12-2/h5-6H,3-4H2,1-2H3
InChIKeyIGNCMGHAWIKZPV-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.62
Rot. Bonds4

About 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate

2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate (PubChem CID 163643795) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate.

Molecular Properties

Compound Name2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate
PubChem CID163643795
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate
SMILESCOCCOC(=O)OC1=CC(=O)OC1C
InChIInChI=1S/C9H12O6/c1-6-7(5-8(10)14-6)15-9(11)13-4-3-12-2/h5-6H,3-4H2,1-2H3
InChIKeyIGNCMGHAWIKZPV-UHFFFAOYSA-N
XLogP0.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate?
The IUPAC name of 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate (CID 163643795) is 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate.
What is the SMILES notation for 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate?
The canonical SMILES for 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate is COCCOC(=O)OC1=CC(=O)OC1C.
What is the InChIKey of 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate?
The InChIKey is IGNCMGHAWIKZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6/c1-6-7(5-8(10)14-6)15-9(11)13-4-3-12-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate?
2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate has a molecular weight of 216.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2-methyl-5-oxo-2H-furan-3-yl) carbonate is sourced from PubChem (CID 163643795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).