5,6-dimethyloxane-2,5-diol

C7H14O3 — CID 20542587

IUPAC5,6-dimethyloxane-2,5-diol
SMILESCC1OC(O)CCC1(C)O
InChIInChI=1S/C7H14O3/c1-5-7(2,9)4-3-6(8)10-5/h5-6,8-9H,3-4H2,1-2H3
InChIKeySJIJRMKHJXJKJH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.25
Rot. Bonds

About 5,6-dimethyloxane-2,5-diol

5,6-dimethyloxane-2,5-diol (PubChem CID 20542587) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5,6-dimethyloxane-2,5-diol.

Molecular Properties

Compound Name5,6-dimethyloxane-2,5-diol
PubChem CID20542587
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name5,6-dimethyloxane-2,5-diol
SMILESCC1OC(O)CCC1(C)O
InChIInChI=1S/C7H14O3/c1-5-7(2,9)4-3-6(8)10-5/h5-6,8-9H,3-4H2,1-2H3
InChIKeySJIJRMKHJXJKJH-UHFFFAOYSA-N
XLogP0.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyloxane-2,5-diol?
The IUPAC name of 5,6-dimethyloxane-2,5-diol (CID 20542587) is 5,6-dimethyloxane-2,5-diol.
What is the SMILES notation for 5,6-dimethyloxane-2,5-diol?
The canonical SMILES for 5,6-dimethyloxane-2,5-diol is CC1OC(O)CCC1(C)O.
What is the InChIKey of 5,6-dimethyloxane-2,5-diol?
The InChIKey is SJIJRMKHJXJKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-7(2,9)4-3-6(8)10-5/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyloxane-2,5-diol?
5,6-dimethyloxane-2,5-diol has a molecular weight of 146.19 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyloxane-2,5-diol is sourced from PubChem (CID 20542587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).