3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol

C9H20O5 — CID 57186683

IUPAC3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
SMILESCCOCCOCCOCC(O)CO
InChIInChI=1S/C9H20O5/c1-2-12-3-4-13-5-6-14-8-9(11)7-10/h9-11H,2-8H2,1H3
InChIKeyAMRBOLAOBWGZGZ-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.59
Rot. Bonds10

About 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol

3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol (PubChem CID 57186683) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
PubChem CID57186683
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
SMILESCCOCCOCCOCC(O)CO
InChIInChI=1S/C9H20O5/c1-2-12-3-4-13-5-6-14-8-9(11)7-10/h9-11H,2-8H2,1H3
InChIKeyAMRBOLAOBWGZGZ-UHFFFAOYSA-N
XLogP-0.59
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
3-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
3-propylperoxypropane-1,2-diol
CID 87234101
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol (CID 57186683) is 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol is CCOCCOCCOCC(O)CO.
What is the InChIKey of 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol?
The InChIKey is AMRBOLAOBWGZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5/c1-2-12-3-4-13-5-6-14-8-9(11)7-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol?
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol has a molecular weight of 208.25 g/mol, XLogP of -0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol is sourced from PubChem (CID 57186683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).