2-[2-(5-ethyloctoxy)ethoxy]ethanol

C14H30O3 — CID 176653109

IUPAC2-[2-(5-ethyloctoxy)ethoxy]ethanol
SMILESCCCC(CC)CCCCOCCOCCO
InChIInChI=1S/C14H30O3/c1-3-7-14(4-2)8-5-6-10-16-12-13-17-11-9-15/h14-15H,3-13H2,1-2H3
InChIKeyPOBQUNOSYPWMHQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.01
Rot. Bonds13

About 2-[2-(5-ethyloctoxy)ethoxy]ethanol

2-[2-(5-ethyloctoxy)ethoxy]ethanol (PubChem CID 176653109) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-(5-ethyloctoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-ethyloctoxy)ethoxy]ethanol
PubChem CID176653109
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-[2-(5-ethyloctoxy)ethoxy]ethanol
SMILESCCCC(CC)CCCCOCCOCCO
InChIInChI=1S/C14H30O3/c1-3-7-14(4-2)8-5-6-10-16-12-13-17-11-9-15/h14-15H,3-13H2,1-2H3
InChIKeyPOBQUNOSYPWMHQ-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
2-[2-(7-ethylnonoxy)ethoxy]ethanol
CID 176653244
2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
CID 176653087
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
4-[4-(2-ethylpentoxy)butoxy]butan-1-ol
CID 90192987
5-ethyloctan-1-ol
CID 22492547
2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
CID 176653191
3-(3-ethyldecoxy)propan-1-ol
CID 22044187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyloctoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(5-ethyloctoxy)ethoxy]ethanol (CID 176653109) is 2-[2-(5-ethyloctoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-ethyloctoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(5-ethyloctoxy)ethoxy]ethanol is CCCC(CC)CCCCOCCOCCO.
What is the InChIKey of 2-[2-(5-ethyloctoxy)ethoxy]ethanol?
The InChIKey is POBQUNOSYPWMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-3-7-14(4-2)8-5-6-10-16-12-13-17-11-9-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-[2-(5-ethyloctoxy)ethoxy]ethanol?
2-[2-(5-ethyloctoxy)ethoxy]ethanol has a molecular weight of 246.39 g/mol, XLogP of 3.01, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyloctoxy)ethoxy]ethanol is sourced from PubChem (CID 176653109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).