1-[2-(2-methylpentan-2-yloxy)ethoxy]decane

C18H38O2 — CID 21135480

IUPAC1-[2-(2-methylpentan-2-yloxy)ethoxy]decane
SMILESCCCCCCCCCCOCCOC(C)(C)CCC
InChIInChI=1S/C18H38O2/c1-5-7-8-9-10-11-12-13-15-19-16-17-20-18(3,4)14-6-2/h5-17H2,1-4H3
InChIKeyXTMLNHQKYWNYOJ-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.74
Rot. Bonds15

About 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane

1-[2-(2-methylpentan-2-yloxy)ethoxy]decane (PubChem CID 21135480) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane.

Molecular Properties

Compound Name1-[2-(2-methylpentan-2-yloxy)ethoxy]decane
PubChem CID21135480
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-[2-(2-methylpentan-2-yloxy)ethoxy]decane
SMILESCCCCCCCCCCOCCOC(C)(C)CCC
InChIInChI=1S/C18H38O2/c1-5-7-8-9-10-11-12-13-15-19-16-17-20-18(3,4)14-6-2/h5-17H2,1-4H3
InChIKeyXTMLNHQKYWNYOJ-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane?
The IUPAC name of 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane (CID 21135480) is 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane.
What is the SMILES notation for 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane?
The canonical SMILES for 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane is CCCCCCCCCCOCCOC(C)(C)CCC.
What is the InChIKey of 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane?
The InChIKey is XTMLNHQKYWNYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-5-7-8-9-10-11-12-13-15-19-16-17-20-18(3,4)14-6-2/h5-17H2,1-4H3.
What are the key properties of 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane?
1-[2-(2-methylpentan-2-yloxy)ethoxy]decane has a molecular weight of 286.50 g/mol, XLogP of 5.74, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpentan-2-yloxy)ethoxy]decane is sourced from PubChem (CID 21135480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).