2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane

C14H30O3 — CID 164583787

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane
SMILESCCOCCOCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30O3/c1-7-15-8-9-16-10-11-17-14(5,6)12-13(2,3)4/h7-12H2,1-6H3
InChIKeyAFLMMZANQZYQJW-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.27
Rot. Bonds9

About 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane

2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane (PubChem CID 164583787) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane
PubChem CID164583787
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane
SMILESCCOCCOCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30O3/c1-7-15-8-9-16-10-11-17-14(5,6)12-13(2,3)4/h7-12H2,1-6H3
InChIKeyAFLMMZANQZYQJW-UHFFFAOYSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine
CID 139380192
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
1-ethoxy-2-(trifluoromethoxy)ethane
CID 87162422
2-ethylperoxy-2,4,4-trimethylpentane
CID 141398016
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbutane
CID 89483999
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-ethoxy-1-(2-ethoxyethoxy)-2-methylpropane;2-(2-hydroxyethoxy)ethanol
CID 161457793
3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-ethyl-2-methylpentane
CID 90397567
2-[2-(2-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482466
1-(2-ethoxyethoxy)-1,1,3,3,3-pentafluoropropane
CID 126551294
1-(2-ethoxyethoxy)-2-methylpropan-2-ol
CID 20617821
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane (CID 164583787) is 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane is CCOCCOCCOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane?
The InChIKey is AFLMMZANQZYQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-7-15-8-9-16-10-11-17-14(5,6)12-13(2,3)4/h7-12H2,1-6H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane?
2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane has a molecular weight of 246.39 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane is sourced from PubChem (CID 164583787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).