2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol

C15H32O4 — CID 545734

IUPAC2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
SMILESCC(CCOCCOCCOCCO)CC(C)(C)C
InChIInChI=1S/C15H32O4/c1-14(13-15(2,3)4)5-7-17-9-11-19-12-10-18-8-6-16/h14,16H,5-13H2,1-4H3
InChIKeyCQOVUZIFCWPUOD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.49
Rot. Bonds12

About 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol (PubChem CID 545734) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
PubChem CID545734
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
SMILESCC(CCOCCOCCOCCO)CC(C)(C)C
InChIInChI=1S/C15H32O4/c1-14(13-15(2,3)4)5-7-17-9-11-19-12-10-18-8-6-16/h14,16H,5-13H2,1-4H3
InChIKeyCQOVUZIFCWPUOD-UHFFFAOYSA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.49
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-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
3,5,5-trimethyl-1-[3-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]propoxy]hexane
CID 58682902
3,5,5-trimethyl-1-(2-propan-2-yloxyethoxy)hexane
CID 138626060
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate
CID 89103547
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
1-(3,5,5-trimethylhexoxy)undecane
CID 86724837
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
4-(3,5,5-trimethylhexoxy)-N-[4-(3,5,5-trimethylhexoxy)butyl]butan-1-amine
CID 87914119
3,5,5-trimethyl-1-[2-(3,5,5-trimethylhexoxy)propan-2-yloxy]hexane
CID 141134456
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
CID 166008404
2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653158
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol (CID 545734) is 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol is CC(CCOCCOCCOCCO)CC(C)(C)C.
What is the InChIKey of 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol?
The InChIKey is CQOVUZIFCWPUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-14(13-15(2,3)4)5-7-17-9-11-19-12-10-18-8-6-16/h14,16H,5-13H2,1-4H3.
What are the key properties of 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.49, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 545734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).