5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol

C11H22O5 — CID 134379068

IUPAC5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
SMILESCCOC1C(CO)OC(C(C)C)C(O)C1O
InChIInChI=1S/C11H22O5/c1-4-15-11-7(5-12)16-10(6(2)3)8(13)9(11)14/h6-14H,4-5H2,1-3H3
InChIKeyJIGGQRDOHFVICB-UHFFFAOYSA-N
MW234.29 g/mol
LogP-0.47
Rot. Bonds4

About 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol

5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol (PubChem CID 134379068) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
PubChem CID134379068
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
SMILESCCOC1C(CO)OC(C(C)C)C(O)C1O
InChIInChI=1S/C11H22O5/c1-4-15-11-7(5-12)16-10(6(2)3)8(13)9(11)14/h6-14H,4-5H2,1-3H3
InChIKeyJIGGQRDOHFVICB-UHFFFAOYSA-N
XLogP-0.47
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 137470121
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
5-ethoxy-2-[6-[[6-ethoxy-3-[5-ethoxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 89432355
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
CID 139318361
(2S,4S,5S)-6-(hydroxymethyl)-2,5-bis(2-methylpropoxy)oxane-3,4-diol
CID 59745844
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 101177678
8-[4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-3-yl]oxy-3-(hydroxymethyl)-8-methyl-2,7-dioxabicyclo[4.2.0]octane-4,5-diol
CID 155158026
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol
CID 156616402
5-[3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol;propane
CID 145016589

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
The IUPAC name of 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol (CID 134379068) is 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
The canonical SMILES for 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol is CCOC1C(CO)OC(C(C)C)C(O)C1O.
What is the InChIKey of 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
The InChIKey is JIGGQRDOHFVICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-4-15-11-7(5-12)16-10(6(2)3)8(13)9(11)14/h6-14H,4-5H2,1-3H3.
What are the key properties of 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol has a molecular weight of 234.29 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 134379068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).