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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Related Compounds

(2R,4R,5S)-2-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxy]-4-ethyl-6-(hydroxymethyl)oxane-3,5-diol
CID 161448657
(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol
CID 174085812
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,4S,5S)-2-[[(3S,4S,6R)-6-[[(3S,4S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(methoxymethyl)oxane-3,4,5-triol
CID 122542967
cyclohexane-1,2,3,4,5,6-hexol;bis((2R,4S,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol);(2R,4S,5R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 158329736
[3-[[(3S,4S,6S)-3-[(2R,4S,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]-2-hydroxypropyl]-trimethylazanium
CID 172500652
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952

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).