5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol

C12H24O6 — CID 153475297

IUPAC5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol
SMILESCCC1C(COCC(C)O)OC(OC)C(O)C1O
InChIInChI=1S/C12H24O6/c1-4-8-9(6-17-5-7(2)13)18-12(16-3)11(15)10(8)14/h7-15H,4-6H2,1-3H3
InChIKeyKATINRJYRXYQMJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.50
Rot. Bonds6

About 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol

5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol (PubChem CID 153475297) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol
PubChem CID153475297
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol
SMILESCCC1C(COCC(C)O)OC(OC)C(O)C1O
InChIInChI=1S/C12H24O6/c1-4-8-9(6-17-5-7(2)13)18-12(16-3)11(15)10(8)14/h7-15H,4-6H2,1-3H3
InChIKeyKATINRJYRXYQMJ-UHFFFAOYSA-N
XLogP-0.50
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol?
The IUPAC name of 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol (CID 153475297) is 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol.
What is the SMILES notation for 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol?
The canonical SMILES for 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol is CCC1C(COCC(C)O)OC(OC)C(O)C1O.
What is the InChIKey of 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol?
The InChIKey is KATINRJYRXYQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c1-4-8-9(6-17-5-7(2)13)18-12(16-3)11(15)10(8)14/h7-15H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol?
5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol has a molecular weight of 264.32 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 153475297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).