methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate

C10H10O5 — CID 10856735

IUPACmethyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)c(C)oc1=O
InChIInChI=1S/C10H10O5/c1-5(11)7-4-8(9(12)14-3)10(13)15-6(7)2/h4H,1-3H3
InChIKeyJWRVJOVHXKHVRS-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.94
Rot. Bonds2

About methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate

methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate (PubChem CID 10856735) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate
PubChem CID10856735
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Namemethyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)c(C)oc1=O
InChIInChI=1S/C10H10O5/c1-5(11)7-4-8(9(12)14-3)10(13)15-6(7)2/h4H,1-3H3
InChIKeyJWRVJOVHXKHVRS-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrenocine A
CID 6312351
Diethyl 2-[(5-methoxy-4-oxopyran-2-yl)methylidene]propanedioate
CID 1811924
Nigerapyrone E
CID 53483954
methyl (E)-3-[3,5-bis(acetyloxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoate
CID 137633256
Cladobotrin III
CID 10264193
Phomapyrone D
CID 11413395
6-Acetyl-4-methoxy-3-methylpyran-2-one
CID 15172623
methyl (E)-3-(5-methyl-6-oxopyran-2-yl)but-2-enoate
CID 21762755
4H,5H-Pyrano(4,3-b)pyran-4,5-dione, 2,7-dimethyl-
CID 214454
2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(1-oxo-2-butenyl)-
CID 135570617
5-Butanoyl-4-methoxy-6-methylpyran-2-one
CID 71524172
5-But-2-enoyl-4-methoxy-6-methylpyran-2-one
CID 131296

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate?
The IUPAC name of methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate (CID 10856735) is methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate is COC(=O)c1cc(C(C)=O)c(C)oc1=O.
What is the InChIKey of methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate?
The InChIKey is JWRVJOVHXKHVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-5(11)7-4-8(9(12)14-3)10(13)15-6(7)2/h4H,1-3H3.
What are the key properties of methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate?
methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate has a molecular weight of 210.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-6-methyl-2-oxopyran-3-carboxylate is sourced from PubChem (CID 10856735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).