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

C20H42O6 — CID 176653158

IUPAC2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCC(C)CCOCCOCCOCCOCCOCCO
InChIInChI=1S/C20H42O6/c1-3-4-5-6-7-20(2)8-10-22-12-14-24-16-18-26-19-17-25-15-13-23-11-9-21/h20-21H,3-19H2,1-2H3
InChIKeyCJZHTLCIOCPJEU-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.06
Rot. Bonds22

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

2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 176653158) has the molecular formula C20H42O6 and a molecular weight of 378.55 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID176653158
Molecular FormulaC20H42O6
Molecular Weight378.55 g/mol
Exact Mass378.30
IUPAC Name2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCC(C)CCOCCOCCOCCOCCOCCO
InChIInChI=1S/C20H42O6/c1-3-4-5-6-7-20(2)8-10-22-12-14-24-16-18-26-19-17-25-15-13-23-11-9-21/h20-21H,3-19H2,1-2H3
InChIKeyCJZHTLCIOCPJEU-UHFFFAOYSA-N
XLogP3.06
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503
3-methyl-1-(3-methylnonadecoxy)nonadecane
CID 88819988
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
CID 176653087
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-[2-(8-methyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176653038
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
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
9-methylhexadecan-1-ol
CID 22027455

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 176653158) is 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCC(C)CCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is CJZHTLCIOCPJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O6/c1-3-4-5-6-7-20(2)8-10-22-12-14-24-16-18-26-19-17-25-15-13-23-11-9-21/h20-21H,3-19H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 378.55 g/mol, XLogP of 3.06, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176653158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).