5-methyl-1,4-dioxane-2,3-diol

C5H10O4 — CID 15606718

IUPAC5-methyl-1,4-dioxane-2,3-diol
SMILESCC1COC(O)C(O)O1
InChIInChI=1S/C5H10O4/c1-3-2-8-4(6)5(7)9-3/h3-7H,2H2,1H3
InChIKeyLFJVLQBHHRHLPF-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.94
Rot. Bonds

About 5-methyl-1,4-dioxane-2,3-diol

5-methyl-1,4-dioxane-2,3-diol (PubChem CID 15606718) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 5-methyl-1,4-dioxane-2,3-diol.

Molecular Properties

Compound Name5-methyl-1,4-dioxane-2,3-diol
PubChem CID15606718
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name5-methyl-1,4-dioxane-2,3-diol
SMILESCC1COC(O)C(O)O1
InChIInChI=1S/C5H10O4/c1-3-2-8-4(6)5(7)9-3/h3-7H,2H2,1H3
InChIKeyLFJVLQBHHRHLPF-UHFFFAOYSA-N
XLogP-0.94
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-dioxane-2,3-diol?
The IUPAC name of 5-methyl-1,4-dioxane-2,3-diol (CID 15606718) is 5-methyl-1,4-dioxane-2,3-diol.
What is the SMILES notation for 5-methyl-1,4-dioxane-2,3-diol?
The canonical SMILES for 5-methyl-1,4-dioxane-2,3-diol is CC1COC(O)C(O)O1.
What is the InChIKey of 5-methyl-1,4-dioxane-2,3-diol?
The InChIKey is LFJVLQBHHRHLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-3-2-8-4(6)5(7)9-3/h3-7H,2H2,1H3.
What are the key properties of 5-methyl-1,4-dioxane-2,3-diol?
5-methyl-1,4-dioxane-2,3-diol has a molecular weight of 134.13 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-dioxane-2,3-diol is sourced from PubChem (CID 15606718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).