2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol

C17H36O4 — CID 176653087

IUPAC2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCC(CC)CCOCCOCCOCCO
InChIInChI=1S/C17H36O4/c1-3-5-6-7-8-17(4-2)9-11-19-13-15-21-16-14-20-12-10-18/h17-18H,3-16H2,1-2H3
InChIKeyYCIKCFSAOOFUFB-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.42
Rot. Bonds17

About 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol (PubChem CID 176653087) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
PubChem CID176653087
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCC(CC)CCOCCOCCOCCO
InChIInChI=1S/C17H36O4/c1-3-5-6-7-8-17(4-2)9-11-19-13-15-21-16-14-20-12-10-18/h17-18H,3-16H2,1-2H3
InChIKeyYCIKCFSAOOFUFB-UHFFFAOYSA-N
XLogP3.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
3-(3-ethyldecoxy)propan-1-ol
CID 22044187
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982
2-[2-(5-ethyloctoxy)ethoxy]ethanol
CID 176653109
2-[2-(7-ethylnonoxy)ethoxy]ethanol
CID 176653244
2-(4-butyldecoxy)ethanol
CID 166649163
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653158
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol (CID 176653087) is 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol is CCCCCCC(CC)CCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol?
The InChIKey is YCIKCFSAOOFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-3-5-6-7-8-17(4-2)9-11-19-13-15-21-16-14-20-12-10-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol has a molecular weight of 304.47 g/mol, XLogP of 3.42, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176653087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).