3,7-dimethylpyrano[4,3-c]pyran-1,5-dione

C10H8O4 — CID 58212109

IUPAC3,7-dimethylpyrano[4,3-c]pyran-1,5-dione
SMILESCc1cc2c(=O)oc(C)cc2c(=O)o1
InChIInChI=1S/C10H8O4/c1-5-3-7-8(9(11)13-5)4-6(2)14-10(7)12/h3-4H,1-2H3
InChIKeyOCBXHLQGMCYHPW-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.36
Rot. Bonds

About 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione

3,7-dimethylpyrano[4,3-c]pyran-1,5-dione (PubChem CID 58212109) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione.

Molecular Properties

Compound Name3,7-dimethylpyrano[4,3-c]pyran-1,5-dione
PubChem CID58212109
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name3,7-dimethylpyrano[4,3-c]pyran-1,5-dione
SMILESCc1cc2c(=O)oc(C)cc2c(=O)o1
InChIInChI=1S/C10H8O4/c1-5-3-7-8(9(11)13-5)4-6(2)14-10(7)12/h3-4H,1-2H3
InChIKeyOCBXHLQGMCYHPW-UHFFFAOYSA-N
XLogP1.36
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mesitene lactone
CID 12662
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
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
4,6-Dimethyl-5-formylpyran-2-one
CID 95775
Nectriapyrone
CID 5358550
Desmethylnectriapyrone
CID 54689128
Fumigermin
CID 54717357
Nigerapyrone D
CID 53483953
Nigerapyrone E
CID 53483954
Nigerapyrone C
CID 53493728
4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione?
The IUPAC name of 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione (CID 58212109) is 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione.
What is the SMILES notation for 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione?
The canonical SMILES for 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione is Cc1cc2c(=O)oc(C)cc2c(=O)o1.
What is the InChIKey of 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione?
The InChIKey is OCBXHLQGMCYHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-5-3-7-8(9(11)13-5)4-6(2)14-10(7)12/h3-4H,1-2H3.
What are the key properties of 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione?
3,7-dimethylpyrano[4,3-c]pyran-1,5-dione has a molecular weight of 192.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylpyrano[4,3-c]pyran-1,5-dione is sourced from PubChem (CID 58212109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).