methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate

C11H14O4 — CID 10822330

IUPACmethyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate
SMILESCCCc1cc(=O)oc(C)c1C(=O)OC
InChIInChI=1S/C11H14O4/c1-4-5-8-6-9(12)15-7(2)10(8)11(13)14-3/h6H,4-5H2,1-3H3
InChIKeyRHTCSXOUBWPTPH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.69
Rot. Bonds3

About methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate

methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate (PubChem CID 10822330) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate
PubChem CID10822330
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate
SMILESCCCc1cc(=O)oc(C)c1C(=O)OC
InChIInChI=1S/C11H14O4/c1-4-5-8-6-9(12)15-7(2)10(8)11(13)14-3/h6H,4-5H2,1-3H3
InChIKeyRHTCSXOUBWPTPH-UHFFFAOYSA-N
XLogP1.69
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one
CID 54684273
2H-Pyran-2-one, 4-methyl-6-pentyl-
CID 11401122
Daldiniapyrone
CID 10912069
5-butyl-4-methoxy-6-methyl-2H-pyran-2-one
CID 102367319
4-Methoxy-6-methyl-5-(3-oxobutyl)-2h-pyran-2-one
CID 102367320
3-Butyl-4-hydroxy-6-propylpyran-2-one
CID 137636218
6-Ethyl-4-hydroxy-3-propylpyran-2-one
CID 137654188
Delitpyrone D
CID 139588657
Nocapyrone I
CID 71604595
6-Heptyl-4-methoxy-3-methylpyran-2-one
CID 146684005

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate (CID 10822330) is methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate is CCCc1cc(=O)oc(C)c1C(=O)OC.
What is the InChIKey of methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate?
The InChIKey is RHTCSXOUBWPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-5-8-6-9(12)15-7(2)10(8)11(13)14-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate?
methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-oxo-4-propylpyran-3-carboxylate is sourced from PubChem (CID 10822330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).