methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate

C9H10O5 — CID 171819217

IUPACmethyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate
SMILESCOC(=O)c1cc(C)c(OC)c(=O)o1
InChIInChI=1S/C9H10O5/c1-5-4-6(8(10)13-3)14-9(11)7(5)12-2/h4H,1-3H3
InChIKeyDTQDQVYJMHKYBE-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.74
Rot. Bonds2

About methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate

methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate (PubChem CID 171819217) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate
PubChem CID171819217
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namemethyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate
SMILESCOC(=O)c1cc(C)c(OC)c(=O)o1
InChIInChI=1S/C9H10O5/c1-5-4-6(8(10)13-3)14-9(11)7(5)12-2/h4H,1-3H3
InChIKeyDTQDQVYJMHKYBE-UHFFFAOYSA-N
XLogP0.74
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate
CID 172588560
methyl 6-methyl-1-oxoisochromene-3-carboxylate
CID 165441452
methyl 5-bromo-7,8-dimethoxy-1-oxoisochromene-3-carboxylate
CID 134854549
ethane;methyl 5-methoxy-4-[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]-6-oxopyran-2-carboxylate
CID 171819028
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
methyl 2-bromo-4-methoxy-3,5-dimethylbenzoate
CID 57495652
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate
CID 12564369
methyl 4-acetyl-5-bromofuran-2-carboxylate
CID 84737463
methyl 7-(6,8-dihydroxy-3-methoxycarbonyl-1-oxoisochromen-7-yl)-6,8-dihydroxy-1-oxoisochromene-3-carboxylate
CID 23958176
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate?
The IUPAC name of methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate (CID 171819217) is methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate is COC(=O)c1cc(C)c(OC)c(=O)o1.
What is the InChIKey of methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate?
The InChIKey is DTQDQVYJMHKYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-5-4-6(8(10)13-3)14-9(11)7(5)12-2/h4H,1-3H3.
What are the key properties of methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate?
methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate has a molecular weight of 198.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate is sourced from PubChem (CID 171819217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).