methyl 6-methoxy-4-oxopyran-2-carboxylate

C8H8O5 — CID 6421679

IUPACmethyl 6-methoxy-4-oxopyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)cc(OC)o1
InChIInChI=1S/C8H8O5/c1-11-7-4-5(9)3-6(13-7)8(10)12-2/h3-4H,1-2H3
InChIKeyULIWYNLNOIAVKW-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.44
Rot. Bonds2

About methyl 6-methoxy-4-oxopyran-2-carboxylate

methyl 6-methoxy-4-oxopyran-2-carboxylate (PubChem CID 6421679) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 6-methoxy-4-oxopyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-4-oxopyran-2-carboxylate
PubChem CID6421679
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Namemethyl 6-methoxy-4-oxopyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)cc(OC)o1
InChIInChI=1S/C8H8O5/c1-11-7-4-5(9)3-6(13-7)8(10)12-2/h3-4H,1-2H3
InChIKeyULIWYNLNOIAVKW-UHFFFAOYSA-N
XLogP0.44
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Di-O-acetylkojic acid
CID 96492
Diethyl 4-oxopyran-2,6-dicarboxylate
CID 316274
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
CID 830685
2,4,4,5-Tetramethoxycyclohexa-2,5-dien-1-one
CID 11830800
1,4-Dioxaspiro[4.5]deca-6,9-dien-8-one, 7-methoxy-
CID 556647
2,5-Cyclohexadien-1-one, 2,4,4-trimethoxy-
CID 592741
Qlgkdnakgubftf-uhfffaoysa-
CID 13153938
dimethyl (E)-4,4-dimethoxypent-2-enedioate
CID 101276912
Ethyl 4-oxo-4H-pyran-2-carboxylate
CID 12417446
ethyl 6-methyl-4-oxo-4H-pyran-2-carboxylate
CID 15578414
Methyl 2-(acetyloxy)-4-methylpent-2-enoate
CID 53915366
Methyl 2-(acetyloxy)hex-2-enoate
CID 57322991

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-4-oxopyran-2-carboxylate?
The IUPAC name of methyl 6-methoxy-4-oxopyran-2-carboxylate (CID 6421679) is methyl 6-methoxy-4-oxopyran-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-4-oxopyran-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-4-oxopyran-2-carboxylate is COC(=O)c1cc(=O)cc(OC)o1.
What is the InChIKey of methyl 6-methoxy-4-oxopyran-2-carboxylate?
The InChIKey is ULIWYNLNOIAVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-11-7-4-5(9)3-6(13-7)8(10)12-2/h3-4H,1-2H3.
What are the key properties of methyl 6-methoxy-4-oxopyran-2-carboxylate?
methyl 6-methoxy-4-oxopyran-2-carboxylate has a molecular weight of 184.15 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-4-oxopyran-2-carboxylate is sourced from PubChem (CID 6421679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).