5-(5-ethoxypentoxy)pentan-1-ol

C12H26O3 — CID 14789682

IUPAC5-(5-ethoxypentoxy)pentan-1-ol
SMILESCCOCCCCCOCCCCCO
InChIInChI=1S/C12H26O3/c1-2-14-10-7-4-8-12-15-11-6-3-5-9-13/h13H,2-12H2,1H3
InChIKeyMNEJEFFSLHNEHU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.37
Rot. Bonds12

About 5-(5-ethoxypentoxy)pentan-1-ol

5-(5-ethoxypentoxy)pentan-1-ol (PubChem CID 14789682) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(5-ethoxypentoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(5-ethoxypentoxy)pentan-1-ol
PubChem CID14789682
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name5-(5-ethoxypentoxy)pentan-1-ol
SMILESCCOCCCCCOCCCCCO
InChIInChI=1S/C12H26O3/c1-2-14-10-7-4-8-12-15-11-6-3-5-9-13/h13H,2-12H2,1H3
InChIKeyMNEJEFFSLHNEHU-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 5-(5-ethoxypentoxy)pentan-1-ol?
The IUPAC name of 5-(5-ethoxypentoxy)pentan-1-ol (CID 14789682) is 5-(5-ethoxypentoxy)pentan-1-ol.
What is the SMILES notation for 5-(5-ethoxypentoxy)pentan-1-ol?
The canonical SMILES for 5-(5-ethoxypentoxy)pentan-1-ol is CCOCCCCCOCCCCCO.
What is the InChIKey of 5-(5-ethoxypentoxy)pentan-1-ol?
The InChIKey is MNEJEFFSLHNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-2-14-10-7-4-8-12-15-11-6-3-5-9-13/h13H,2-12H2,1H3.
What are the key properties of 5-(5-ethoxypentoxy)pentan-1-ol?
5-(5-ethoxypentoxy)pentan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxypentoxy)pentan-1-ol is sourced from PubChem (CID 14789682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).