methyl (2-methyl-6-oxopyran-4-yl) carbonate

C8H8O5 — CID 20645675

IUPACmethyl (2-methyl-6-oxopyran-4-yl) carbonate
SMILESCOC(=O)Oc1cc(C)oc(=O)c1
InChIInChI=1S/C8H8O5/c1-5-3-6(4-7(9)12-5)13-8(10)11-2/h3-4H,1-2H3
InChIKeyBMMHEFOFKLYWNR-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.09
Rot. Bonds1

About methyl (2-methyl-6-oxopyran-4-yl) carbonate

methyl (2-methyl-6-oxopyran-4-yl) carbonate (PubChem CID 20645675) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl (2-methyl-6-oxopyran-4-yl) carbonate.

Molecular Properties

Compound Namemethyl (2-methyl-6-oxopyran-4-yl) carbonate
PubChem CID20645675
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Namemethyl (2-methyl-6-oxopyran-4-yl) carbonate
SMILESCOC(=O)Oc1cc(C)oc(=O)c1
InChIInChI=1S/C8H8O5/c1-5-3-6(4-7(9)12-5)13-8(10)11-2/h3-4H,1-2H3
InChIKeyBMMHEFOFKLYWNR-UHFFFAOYSA-N
XLogP1.09
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2-methyl-6-oxopyran-4-yl) carbonate?
The IUPAC name of methyl (2-methyl-6-oxopyran-4-yl) carbonate (CID 20645675) is methyl (2-methyl-6-oxopyran-4-yl) carbonate.
What is the SMILES notation for methyl (2-methyl-6-oxopyran-4-yl) carbonate?
The canonical SMILES for methyl (2-methyl-6-oxopyran-4-yl) carbonate is COC(=O)Oc1cc(C)oc(=O)c1.
What is the InChIKey of methyl (2-methyl-6-oxopyran-4-yl) carbonate?
The InChIKey is BMMHEFOFKLYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-5-3-6(4-7(9)12-5)13-8(10)11-2/h3-4H,1-2H3.
What are the key properties of methyl (2-methyl-6-oxopyran-4-yl) carbonate?
methyl (2-methyl-6-oxopyran-4-yl) carbonate has a molecular weight of 184.15 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-methyl-6-oxopyran-4-yl) carbonate is sourced from PubChem (CID 20645675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).