3-ethoxy-3-(2-ethoxyethoxymethyl)pentane

C12H26O3 — CID 22289738

IUPAC3-ethoxy-3-(2-ethoxyethoxymethyl)pentane
SMILESCCOCCOCC(CC)(CC)OCC
InChIInChI=1S/C12H26O3/c1-5-12(6-2,15-8-4)11-14-10-9-13-7-3/h5-11H2,1-4H3
InChIKeyCAEUCVQRJKPCKO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.63
Rot. Bonds10

About 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane

3-ethoxy-3-(2-ethoxyethoxymethyl)pentane (PubChem CID 22289738) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane.

Molecular Properties

Compound Name3-ethoxy-3-(2-ethoxyethoxymethyl)pentane
PubChem CID22289738
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name3-ethoxy-3-(2-ethoxyethoxymethyl)pentane
SMILESCCOCCOCC(CC)(CC)OCC
InChIInChI=1S/C12H26O3/c1-5-12(6-2,15-8-4)11-14-10-9-13-7-3/h5-11H2,1-4H3
InChIKeyCAEUCVQRJKPCKO-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.63
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 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane?
The IUPAC name of 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane (CID 22289738) is 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane.
What is the SMILES notation for 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane?
The canonical SMILES for 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane is CCOCCOCC(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane?
The InChIKey is CAEUCVQRJKPCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-12(6-2,15-8-4)11-14-10-9-13-7-3/h5-11H2,1-4H3.
What are the key properties of 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane?
3-ethoxy-3-(2-ethoxyethoxymethyl)pentane has a molecular weight of 218.34 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-(2-ethoxyethoxymethyl)pentane is sourced from PubChem (CID 22289738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).