1-ethenoxy-6-pentan-3-yloxyhexane

C13H26O2 — CID 88908251

IUPAC1-ethenoxy-6-pentan-3-yloxyhexane
SMILESC=COCCCCCCOC(CC)CC
InChIInChI=1S/C13H26O2/c1-4-13(5-2)15-12-10-8-7-9-11-14-6-3/h6,13H,3-5,7-12H2,1-2H3
InChIKeyQPUNPZPXANHHOK-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.91
Rot. Bonds11

About 1-ethenoxy-6-pentan-3-yloxyhexane

1-ethenoxy-6-pentan-3-yloxyhexane (PubChem CID 88908251) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-ethenoxy-6-pentan-3-yloxyhexane.

Molecular Properties

Compound Name1-ethenoxy-6-pentan-3-yloxyhexane
PubChem CID88908251
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-ethenoxy-6-pentan-3-yloxyhexane
SMILESC=COCCCCCCOC(CC)CC
InChIInChI=1S/C13H26O2/c1-4-13(5-2)15-12-10-8-7-9-11-14-6-3/h6,13H,3-5,7-12H2,1-2H3
InChIKeyQPUNPZPXANHHOK-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-6-pentan-3-yloxyhexane?
The IUPAC name of 1-ethenoxy-6-pentan-3-yloxyhexane (CID 88908251) is 1-ethenoxy-6-pentan-3-yloxyhexane.
What is the SMILES notation for 1-ethenoxy-6-pentan-3-yloxyhexane?
The canonical SMILES for 1-ethenoxy-6-pentan-3-yloxyhexane is C=COCCCCCCOC(CC)CC.
What is the InChIKey of 1-ethenoxy-6-pentan-3-yloxyhexane?
The InChIKey is QPUNPZPXANHHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-13(5-2)15-12-10-8-7-9-11-14-6-3/h6,13H,3-5,7-12H2,1-2H3.
What are the key properties of 1-ethenoxy-6-pentan-3-yloxyhexane?
1-ethenoxy-6-pentan-3-yloxyhexane has a molecular weight of 214.35 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-6-pentan-3-yloxyhexane is sourced from PubChem (CID 88908251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).