methyl 2-methyl-4H-pyran-3-carboxylate

C8H10O3 — CID 135019691

IUPACmethyl 2-methyl-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC=CC1
InChIInChI=1S/C8H10O3/c1-6-7(8(9)10-2)4-3-5-11-6/h3,5H,4H2,1-2H3
InChIKeyHHYBDWVEUSQXNJ-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.37
Rot. Bonds1

About methyl 2-methyl-4H-pyran-3-carboxylate

methyl 2-methyl-4H-pyran-3-carboxylate (PubChem CID 135019691) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 2-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4H-pyran-3-carboxylate
PubChem CID135019691
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 2-methyl-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC=CC1
InChIInChI=1S/C8H10O3/c1-6-7(8(9)10-2)4-3-5-11-6/h3,5H,4H2,1-2H3
InChIKeyHHYBDWVEUSQXNJ-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
Methyl (7E)-7-(2E)-2-buten-1-ylidene-1,7-dihydro-1-oxocyclopenta(c)pyran-4-carboxylate
CID 5281541
Methyl cyclohexa-1,4-diene-1-carboxylate
CID 297201
4-(2,3-Butadienyl)-2H-pyran-2-one
CID 101408975
Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate
CID 72306
4-methoxy-6-methyl-3-[(E)-pent-1-enyl]pyran-2-one
CID 44323507
4-(2-Ethoxyethyl)-6-methylpyran-2-one
CID 44344469
5-But-2-enyl-4-methoxy-6-methylpyran-2-one
CID 86084829
Novaezelandin A
CID 101379190
3-Allyl-pyran-2-one
CID 13541286
Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate
CID 595881

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4H-pyran-3-carboxylate?
The IUPAC name of methyl 2-methyl-4H-pyran-3-carboxylate (CID 135019691) is methyl 2-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4H-pyran-3-carboxylate is COC(=O)C1=C(C)OC=CC1.
What is the InChIKey of methyl 2-methyl-4H-pyran-3-carboxylate?
The InChIKey is HHYBDWVEUSQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6-7(8(9)10-2)4-3-5-11-6/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-methyl-4H-pyran-3-carboxylate?
methyl 2-methyl-4H-pyran-3-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 135019691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).