methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate

C11H14O5 — CID 172588560

IUPACmethyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate
SMILESCCCOc1c(C)cc(C(=O)OC)oc1=O
InChIInChI=1S/C11H14O5/c1-4-5-15-9-7(2)6-8(10(12)14-3)16-11(9)13/h6H,4-5H2,1-3H3
InChIKeyBMZGQSLTURUCLT-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.52
Rot. Bonds4

About methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate

methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate (PubChem CID 172588560) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate
PubChem CID172588560
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate
SMILESCCCOc1c(C)cc(C(=O)OC)oc1=O
InChIInChI=1S/C11H14O5/c1-4-5-15-9-7(2)6-8(10(12)14-3)16-11(9)13/h6H,4-5H2,1-3H3
InChIKeyBMZGQSLTURUCLT-UHFFFAOYSA-N
XLogP1.52
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methoxy-4-methyl-6-oxopyran-2-carboxylate
CID 171819217
methyl 5-(2-methoxyethoxy)-6-oxo-4-(pyrimidin-2-ylamino)pyran-2-carboxylate
CID 172587864
methyl 3,4,5-tripropoxybenzoate
CID 19820325
methyl 6-methyl-1-oxoisochromene-3-carboxylate
CID 165441452
methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
CID 82551916
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
methyl 3-(4-butoxy-3,5-dimethylphenyl)-3-oxopropanoate
CID 71097490
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
tetramethyl 9,10-didodecoxyanthracene-2,3,6,7-tetracarboxylate
CID 2747939
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene
CID 174787766

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate (CID 172588560) is methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate is CCCOc1c(C)cc(C(=O)OC)oc1=O.
What is the InChIKey of methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate?
The InChIKey is BMZGQSLTURUCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-4-5-15-9-7(2)6-8(10(12)14-3)16-11(9)13/h6H,4-5H2,1-3H3.
What are the key properties of methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate?
methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-oxo-5-propoxypyran-2-carboxylate is sourced from PubChem (CID 172588560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).