2-[2-(2,6-dimethylphenoxy)ethoxy]oxane

C15H22O3 — CID 10857898

IUPAC2-[2-(2,6-dimethylphenoxy)ethoxy]oxane
SMILESCc1cccc(C)c1OCCOC1CCCCO1
InChIInChI=1S/C15H22O3/c1-12-6-5-7-13(2)15(12)18-11-10-17-14-8-3-4-9-16-14/h5-7,14H,3-4,8-11H2,1-2H3
InChIKeyLMVALCYBLWYSLU-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.23
Rot. Bonds5

About 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane

2-[2-(2,6-dimethylphenoxy)ethoxy]oxane (PubChem CID 10857898) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenoxy)ethoxy]oxane
PubChem CID10857898
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[2-(2,6-dimethylphenoxy)ethoxy]oxane
SMILESCc1cccc(C)c1OCCOC1CCCCO1
InChIInChI=1S/C15H22O3/c1-12-6-5-7-13(2)15(12)18-11-10-17-14-8-3-4-9-16-14/h5-7,14H,3-4,8-11H2,1-2H3
InChIKeyLMVALCYBLWYSLU-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane?
The IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane (CID 10857898) is 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane is Cc1cccc(C)c1OCCOC1CCCCO1.
What is the InChIKey of 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane?
The InChIKey is LMVALCYBLWYSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-12-6-5-7-13(2)15(12)18-11-10-17-14-8-3-4-9-16-14/h5-7,14H,3-4,8-11H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane?
2-[2-(2,6-dimethylphenoxy)ethoxy]oxane has a molecular weight of 250.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenoxy)ethoxy]oxane is sourced from PubChem (CID 10857898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).