2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol

C14H30O3 — CID 142712326

IUPAC2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol
SMILESCCCC(C)C(C)C(C)(C)OCCOCCO
InChIInChI=1S/C14H30O3/c1-6-7-12(2)13(3)14(4,5)17-11-10-16-9-8-15/h12-13,15H,6-11H2,1-5H3
InChIKeyZEYUMSOVXHVJAE-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.86
Rot. Bonds10

About 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol

2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol (PubChem CID 142712326) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol
PubChem CID142712326
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol
SMILESCCCC(C)C(C)C(C)(C)OCCOCCO
InChIInChI=1S/C14H30O3/c1-6-7-12(2)13(3)14(4,5)17-11-10-16-9-8-15/h12-13,15H,6-11H2,1-5H3
InChIKeyZEYUMSOVXHVJAE-UHFFFAOYSA-N
XLogP2.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.86
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-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026
2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 142651386
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172771806
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol
CID 87212260
2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol
CID 142712545
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
2-(2-butoxyethoxy)-2,3-dimethylbutane
CID 175016826
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol (CID 142712326) is 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol is CCCC(C)C(C)C(C)(C)OCCOCCO.
What is the InChIKey of 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol?
The InChIKey is ZEYUMSOVXHVJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-6-7-12(2)13(3)14(4,5)17-11-10-16-9-8-15/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol?
2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol has a molecular weight of 246.39 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trimethylheptan-2-yloxy)ethoxy]ethanol is sourced from PubChem (CID 142712326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).