5,5-dimethyl-2H-furan-2,3,4-triol

C6H10O4 — CID 126490027

IUPAC5,5-dimethyl-2H-furan-2,3,4-triol
SMILESCC1(C)OC(O)C(O)=C1O
InChIInChI=1S/C6H10O4/c1-6(2)4(8)3(7)5(9)10-6/h5,7-9H,1-2H3
InChIKeyOMMKFXWNYDMDOF-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.44
Rot. Bonds

About 5,5-dimethyl-2H-furan-2,3,4-triol

5,5-dimethyl-2H-furan-2,3,4-triol (PubChem CID 126490027) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 5,5-dimethyl-2H-furan-2,3,4-triol.

Molecular Properties

Compound Name5,5-dimethyl-2H-furan-2,3,4-triol
PubChem CID126490027
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name5,5-dimethyl-2H-furan-2,3,4-triol
SMILESCC1(C)OC(O)C(O)=C1O
InChIInChI=1S/C6H10O4/c1-6(2)4(8)3(7)5(9)10-6/h5,7-9H,1-2H3
InChIKeyOMMKFXWNYDMDOF-UHFFFAOYSA-N
XLogP0.44
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2H-furan-2,3,4-triol?
The IUPAC name of 5,5-dimethyl-2H-furan-2,3,4-triol (CID 126490027) is 5,5-dimethyl-2H-furan-2,3,4-triol.
What is the SMILES notation for 5,5-dimethyl-2H-furan-2,3,4-triol?
The canonical SMILES for 5,5-dimethyl-2H-furan-2,3,4-triol is CC1(C)OC(O)C(O)=C1O.
What is the InChIKey of 5,5-dimethyl-2H-furan-2,3,4-triol?
The InChIKey is OMMKFXWNYDMDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(2)4(8)3(7)5(9)10-6/h5,7-9H,1-2H3.
What are the key properties of 5,5-dimethyl-2H-furan-2,3,4-triol?
5,5-dimethyl-2H-furan-2,3,4-triol has a molecular weight of 146.14 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2H-furan-2,3,4-triol is sourced from PubChem (CID 126490027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).