(2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol

C8H16O4 — CID 129321316

IUPAC(2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol
SMILESCCO[C@@H]1C[C@@H](O)[C@@H](CO)CO1
InChIInChI=1S/C8H16O4/c1-2-11-8-3-7(10)6(4-9)5-12-8/h6-10H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyWPAOBBATSXRVGT-RNJXMRFFSA-N
MW176.21 g/mol
LogP-0.26
Rot. Bonds3

About (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol

(2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol (PubChem CID 129321316) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol
PubChem CID129321316
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol
SMILESCCO[C@@H]1C[C@@H](O)[C@@H](CO)CO1
InChIInChI=1S/C8H16O4/c1-2-11-8-3-7(10)6(4-9)5-12-8/h6-10H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyWPAOBBATSXRVGT-RNJXMRFFSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2-ethoxy-4-methyloxolane
CID 102317683
(2R,4S)-2-ethoxy-4-methyloxolane
CID 10558657
(2-ethoxycyclopropyl)methanol
CID 13465027
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
CID 54321691
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
(2R,4S)-4-cyclohexyl-2-ethoxyoxolane
CID 10821828
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 132567869
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol?
The IUPAC name of (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol (CID 129321316) is (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol is CCO[C@@H]1C[C@@H](O)[C@@H](CO)CO1.
What is the InChIKey of (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol?
The InChIKey is WPAOBBATSXRVGT-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H16O4/c1-2-11-8-3-7(10)6(4-9)5-12-8/h6-10H,2-5H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol?
(2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol has a molecular weight of 176.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-2-ethoxy-5-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 129321316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).