formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one

C8H10O4 — CID 90719006

IUPACformaldehyde;5-hydroxy-2,3-dimethylpyran-4-one
SMILESC=O.Cc1occ(O)c(=O)c1C
InChIInChI=1S/C7H8O3.CH2O/c1-4-5(2)10-3-6(8)7(4)9;1-2/h3,8H,1-2H3;1H2
InChIKeyAMSMCHBCMPXQAA-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.78
Rot. Bonds

About formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one

formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one (PubChem CID 90719006) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one.

Molecular Properties

Compound Nameformaldehyde;5-hydroxy-2,3-dimethylpyran-4-one
PubChem CID90719006
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Nameformaldehyde;5-hydroxy-2,3-dimethylpyran-4-one
SMILESC=O.Cc1occ(O)c(=O)c1C
InChIInChI=1S/C7H8O3.CH2O/c1-4-5(2)10-3-6(8)7(4)9;1-2/h3,8H,1-2H3;1H2
InChIKeyAMSMCHBCMPXQAA-UHFFFAOYSA-N
XLogP0.78
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one?
The IUPAC name of formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one (CID 90719006) is formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one.
What is the SMILES notation for formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one?
The canonical SMILES for formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one is C=O.Cc1occ(O)c(=O)c1C.
What is the InChIKey of formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one?
The InChIKey is AMSMCHBCMPXQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.CH2O/c1-4-5(2)10-3-6(8)7(4)9;1-2/h3,8H,1-2H3;1H2.
What are the key properties of formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one?
formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one has a molecular weight of 170.16 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;5-hydroxy-2,3-dimethylpyran-4-one is sourced from PubChem (CID 90719006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).