2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane

C12H26O4 — CID 15153196

IUPAC2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
SMILESCC(C)OCCOCCOCCOC(C)C
InChIInChI=1S/C12H26O4/c1-11(2)15-9-7-13-5-6-14-8-10-16-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyAHTTUKMNYVZLFF-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds11

About 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane

2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane (PubChem CID 15153196) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane.

Molecular Properties

Compound Name2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
PubChem CID15153196
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
SMILESCC(C)OCCOCCOCCOC(C)C
InChIInChI=1S/C12H26O4/c1-11(2)15-9-7-13-5-6-14-8-10-16-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyAHTTUKMNYVZLFF-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane?
The IUPAC name of 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane (CID 15153196) is 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane.
What is the SMILES notation for 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane?
The canonical SMILES for 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane is CC(C)OCCOCCOCCOC(C)C.
What is the InChIKey of 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane?
The InChIKey is AHTTUKMNYVZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-11(2)15-9-7-13-5-6-14-8-10-16-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane?
2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane has a molecular weight of 234.34 g/mol, XLogP of 1.87, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane is sourced from PubChem (CID 15153196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).