2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol

C8H16O5 — CID 18974249

IUPAC2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
SMILESCCOC1OC(CO)C(O)CC1O
InChIInChI=1S/C8H16O5/c1-2-12-8-6(11)3-5(10)7(4-9)13-8/h5-11H,2-4H2,1H3
InChIKeyOFACHKDKHNCYPY-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds3

About 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol

2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 18974249) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

Compound Name2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
PubChem CID18974249
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
SMILESCCOC1OC(CO)C(O)CC1O
InChIInChI=1S/C8H16O5/c1-2-12-8-6(11)3-5(10)7(4-9)13-8/h5-11H,2-4H2,1H3
InChIKeyOFACHKDKHNCYPY-UHFFFAOYSA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol?
The IUPAC name of 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol (CID 18974249) is 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol.
What is the SMILES notation for 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol?
The canonical SMILES for 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol is CCOC1OC(CO)C(O)CC1O.
What is the InChIKey of 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol?
The InChIKey is OFACHKDKHNCYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-2-12-8-6(11)3-5(10)7(4-9)13-8/h5-11H,2-4H2,1H3.
What are the key properties of 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol?
2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 18974249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).