3,7-dimethylfuro[2,3-c]pyran-2-one

C9H8O3 — CID 11321142

IUPAC3,7-dimethylfuro[2,3-c]pyran-2-one
SMILESCc1occc2c(C)c(=O)oc1-2
InChIInChI=1S/C9H8O3/c1-5-7-3-4-11-6(2)8(7)12-9(5)10/h3-4H,1-2H3
InChIKeyTYHXSNBTCKZPMK-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.95
Rot. Bonds

About 3,7-dimethylfuro[2,3-c]pyran-2-one

3,7-dimethylfuro[2,3-c]pyran-2-one (PubChem CID 11321142) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3,7-dimethylfuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name3,7-dimethylfuro[2,3-c]pyran-2-one
PubChem CID11321142
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name3,7-dimethylfuro[2,3-c]pyran-2-one
SMILESCc1occc2c(C)c(=O)oc1-2
InChIInChI=1S/C9H8O3/c1-5-7-3-4-11-6(2)8(7)12-9(5)10/h3-4H,1-2H3
InChIKeyTYHXSNBTCKZPMK-UHFFFAOYSA-N
XLogP1.95
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylfuro[2,3-c]pyran-2-one?
The IUPAC name of 3,7-dimethylfuro[2,3-c]pyran-2-one (CID 11321142) is 3,7-dimethylfuro[2,3-c]pyran-2-one.
What is the SMILES notation for 3,7-dimethylfuro[2,3-c]pyran-2-one?
The canonical SMILES for 3,7-dimethylfuro[2,3-c]pyran-2-one is Cc1occc2c(C)c(=O)oc1-2.
What is the InChIKey of 3,7-dimethylfuro[2,3-c]pyran-2-one?
The InChIKey is TYHXSNBTCKZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-5-7-3-4-11-6(2)8(7)12-9(5)10/h3-4H,1-2H3.
What are the key properties of 3,7-dimethylfuro[2,3-c]pyran-2-one?
3,7-dimethylfuro[2,3-c]pyran-2-one has a molecular weight of 164.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylfuro[2,3-c]pyran-2-one is sourced from PubChem (CID 11321142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).