methyl (5-oxo-2H-pyran-2-yl) carbonate

C7H8O5 — CID 14474060

IUPACmethyl (5-oxo-2H-pyran-2-yl) carbonate
SMILESCOC(=O)OC1C=CC(=O)CO1
InChIInChI=1S/C7H8O5/c1-10-7(9)12-6-3-2-5(8)4-11-6/h2-3,6H,4H2,1H3
InChIKeyAIVKDFCENIFETD-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.25
Rot. Bonds1

About methyl (5-oxo-2H-pyran-2-yl) carbonate

methyl (5-oxo-2H-pyran-2-yl) carbonate (PubChem CID 14474060) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl (5-oxo-2H-pyran-2-yl) carbonate.

Molecular Properties

Compound Namemethyl (5-oxo-2H-pyran-2-yl) carbonate
PubChem CID14474060
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Namemethyl (5-oxo-2H-pyran-2-yl) carbonate
SMILESCOC(=O)OC1C=CC(=O)CO1
InChIInChI=1S/C7H8O5/c1-10-7(9)12-6-3-2-5(8)4-11-6/h2-3,6H,4H2,1H3
InChIKeyAIVKDFCENIFETD-UHFFFAOYSA-N
XLogP0.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (5-oxo-2H-pyran-2-yl) carbonate?
The IUPAC name of methyl (5-oxo-2H-pyran-2-yl) carbonate (CID 14474060) is methyl (5-oxo-2H-pyran-2-yl) carbonate.
What is the SMILES notation for methyl (5-oxo-2H-pyran-2-yl) carbonate?
The canonical SMILES for methyl (5-oxo-2H-pyran-2-yl) carbonate is COC(=O)OC1C=CC(=O)CO1.
What is the InChIKey of methyl (5-oxo-2H-pyran-2-yl) carbonate?
The InChIKey is AIVKDFCENIFETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-10-7(9)12-6-3-2-5(8)4-11-6/h2-3,6H,4H2,1H3.
What are the key properties of methyl (5-oxo-2H-pyran-2-yl) carbonate?
methyl (5-oxo-2H-pyran-2-yl) carbonate has a molecular weight of 172.14 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5-oxo-2H-pyran-2-yl) carbonate is sourced from PubChem (CID 14474060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).