1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol

C11H24O6 — CID 56976307

IUPAC1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol
SMILESCCOCC(O)C(C(O)COC)C(O)COC
InChIInChI=1S/C11H24O6/c1-4-17-7-10(14)11(8(12)5-15-2)9(13)6-16-3/h8-14H,4-7H2,1-3H3
InChIKeyCSMFGHGCZMURGU-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.99
Rot. Bonds10

About 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol

1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol (PubChem CID 56976307) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol.

Molecular Properties

Compound Name1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol
PubChem CID56976307
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Name1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol
SMILESCCOCC(O)C(C(O)COC)C(O)COC
InChIInChI=1S/C11H24O6/c1-4-17-7-10(14)11(8(12)5-15-2)9(13)6-16-3/h8-14H,4-7H2,1-3H3
InChIKeyCSMFGHGCZMURGU-UHFFFAOYSA-N
XLogP-0.99
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-3-methylpentane-1,2,4,5-tetrol
CID 44237323
2-Methoxy-2-(oxan-4-yl)ethan-1-ol
CID 118196325
2-Ethoxy-2-(oxolan-3-yl)ethan-1-ol
CID 165650880
2-Ethoxy-2-(oxan-4-yl)ethan-1-ol
CID 165765006
2,3,4-Tri-o-methyl-l-arabinitol
CID 91281717
3-[2-(5-Ethoxypentan-2-yloxy)ethoxy]-2-methylpropan-1-ol
CID 91948
(4R)-5-butoxy-2-fluoro-4-methoxypentane-1,3-diol
CID 88559786
(4R)-5-butoxy-2-fluoropentane-1,3,4-triol
CID 90346826
5-[2-Fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol
CID 155277799
(2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol
CID 91491767
2,3,4-tri-O-methyl-xylitol
CID 101374733
2,3,5-tri-O-methyl arabinitol
CID 129671358

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol?
The IUPAC name of 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol (CID 56976307) is 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol.
What is the SMILES notation for 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol?
The canonical SMILES for 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol is CCOCC(O)C(C(O)COC)C(O)COC.
What is the InChIKey of 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol?
The InChIKey is CSMFGHGCZMURGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6/c1-4-17-7-10(14)11(8(12)5-15-2)9(13)6-16-3/h8-14H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol?
1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol has a molecular weight of 252.31 g/mol, XLogP of -0.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol is sourced from PubChem (CID 56976307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).