5-ethyl-4-methoxyoxolane-2,3-diol

C7H14O4 — CID 74429889

IUPAC5-ethyl-4-methoxyoxolane-2,3-diol
SMILESCCC1OC(O)C(O)C1OC
InChIInChI=1S/C7H14O4/c1-3-4-6(10-2)5(8)7(9)11-4/h4-9H,3H2,1-2H3
InChIKeyOKJNFPYDXQMDSV-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds2

About 5-ethyl-4-methoxyoxolane-2,3-diol

5-ethyl-4-methoxyoxolane-2,3-diol (PubChem CID 74429889) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 5-ethyl-4-methoxyoxolane-2,3-diol.

Molecular Properties

Compound Name5-ethyl-4-methoxyoxolane-2,3-diol
PubChem CID74429889
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name5-ethyl-4-methoxyoxolane-2,3-diol
SMILESCCC1OC(O)C(O)C1OC
InChIInChI=1S/C7H14O4/c1-3-4-6(10-2)5(8)7(9)11-4/h4-9H,3H2,1-2H3
InChIKeyOKJNFPYDXQMDSV-UHFFFAOYSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol
CID 141014802
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxyoxolane-2,3-diol?
The IUPAC name of 5-ethyl-4-methoxyoxolane-2,3-diol (CID 74429889) is 5-ethyl-4-methoxyoxolane-2,3-diol.
What is the SMILES notation for 5-ethyl-4-methoxyoxolane-2,3-diol?
The canonical SMILES for 5-ethyl-4-methoxyoxolane-2,3-diol is CCC1OC(O)C(O)C1OC.
What is the InChIKey of 5-ethyl-4-methoxyoxolane-2,3-diol?
The InChIKey is OKJNFPYDXQMDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-3-4-6(10-2)5(8)7(9)11-4/h4-9H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methoxyoxolane-2,3-diol?
5-ethyl-4-methoxyoxolane-2,3-diol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxyoxolane-2,3-diol is sourced from PubChem (CID 74429889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).