7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione

C12H12O4 — CID 11195357

IUPAC7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione
SMILESCc1cc2oc(C(C)C)cc(=O)c2c(=O)o1
InChIInChI=1S/C12H12O4/c1-6(2)9-5-8(13)11-10(16-9)4-7(3)15-12(11)14/h4-6H,1-3H3
InChIKeyPCZOHKBNTBWIJE-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.18
Rot. Bonds1

About 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione

7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione (PubChem CID 11195357) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione.

Molecular Properties

Compound Name7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione
PubChem CID11195357
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione
SMILESCc1cc2oc(C(C)C)cc(=O)c2c(=O)o1
InChIInChI=1S/C12H12O4/c1-6(2)9-5-8(13)11-10(16-9)4-7(3)15-12(11)14/h4-6H,1-3H3
InChIKeyPCZOHKBNTBWIJE-UHFFFAOYSA-N
XLogP2.18
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione?
The IUPAC name of 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione (CID 11195357) is 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione.
What is the SMILES notation for 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione?
The canonical SMILES for 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione is Cc1cc2oc(C(C)C)cc(=O)c2c(=O)o1.
What is the InChIKey of 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione?
The InChIKey is PCZOHKBNTBWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-6(2)9-5-8(13)11-10(16-9)4-7(3)15-12(11)14/h4-6H,1-3H3.
What are the key properties of 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione?
7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione has a molecular weight of 220.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-ylpyrano[4,3-b]pyran-4,5-dione is sourced from PubChem (CID 11195357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).