6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one

C12H10O5 — CID 86079991

IUPAC6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one
SMILESCc1cc(Oc2cc(C)oc(=O)c2)cc(=O)o1
InChIInChI=1S/C12H10O5/c1-7-3-9(5-11(13)15-7)17-10-4-8(2)16-12(14)6-10/h3-6H,1-2H3
InChIKeyDNZHISJPBFDFQK-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.00
Rot. Bonds2

About 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one

6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one (PubChem CID 86079991) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one.

Molecular Properties

Compound Name6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one
PubChem CID86079991
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one
SMILESCc1cc(Oc2cc(C)oc(=O)c2)cc(=O)o1
InChIInChI=1S/C12H10O5/c1-7-3-9(5-11(13)15-7)17-10-4-8(2)16-12(14)6-10/h3-6H,1-2H3
InChIKeyDNZHISJPBFDFQK-UHFFFAOYSA-N
XLogP2.00
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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6-Prop-1-enylpyran-2-one
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4-Hydroxy-6-prop-1-enylpyran-2-one
CID 76213211
Ethyl 3-(acetoxy)crotonate
CID 5363789
2-Butenoic acid, 3-(acetyloxy)-, ethyl ester, (E)-
CID 6062768
1,3-Pentadiene-2,4-diol, 2,4-diacetate
CID 53432312
Tolypocladone B
CID 139591340
Dayaolingzhilactone B
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Methyl convolvulopyrone
CID 156581768

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one?
The IUPAC name of 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one (CID 86079991) is 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one.
What is the SMILES notation for 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one?
The canonical SMILES for 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one is Cc1cc(Oc2cc(C)oc(=O)c2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one?
The InChIKey is DNZHISJPBFDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-7-3-9(5-11(13)15-7)17-10-4-8(2)16-12(14)6-10/h3-6H,1-2H3.
What are the key properties of 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one?
6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one has a molecular weight of 234.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methyl-6-oxopyran-4-yl)oxypyran-2-one is sourced from PubChem (CID 86079991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).