2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one

C12H16O4 — CID 13396152

IUPAC2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C(C)(C)CC(C)(O)O2
InChIInChI=1S/C12H16O4/c1-7-5-8-9(10(13)15-7)11(2,3)6-12(4,14)16-8/h5,14H,6H2,1-4H3
InChIKeyUZQHERVIRUSOCX-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.72
Rot. Bonds

About 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one

2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one (PubChem CID 13396152) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one
PubChem CID13396152
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C(C)(C)CC(C)(O)O2
InChIInChI=1S/C12H16O4/c1-7-5-8-9(10(13)15-7)11(2,3)6-12(4,14)16-8/h5,14H,6H2,1-4H3
InChIKeyUZQHERVIRUSOCX-UHFFFAOYSA-N
XLogP1.72
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 13164183

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one?
The IUPAC name of 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one (CID 13396152) is 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one.
What is the SMILES notation for 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one?
The canonical SMILES for 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one is Cc1cc2c(c(=O)o1)C(C)(C)CC(C)(O)O2.
What is the InChIKey of 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one?
The InChIKey is UZQHERVIRUSOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-5-8-9(10(13)15-7)11(2,3)6-12(4,14)16-8/h5,14H,6H2,1-4H3.
What are the key properties of 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one?
2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one has a molecular weight of 224.26 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one is sourced from PubChem (CID 13396152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).