5-ethoxy-1-methoxyocta-1,5-diene

C11H20O2 — CID 87203458

IUPAC5-ethoxy-1-methoxyocta-1,5-diene
SMILESCCC=C(CCC=COC)OCC
InChIInChI=1S/C11H20O2/c1-4-8-11(13-5-2)9-6-7-10-12-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyITBHMPQXQFUXEF-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.26
Rot. Bonds7

About 5-ethoxy-1-methoxyocta-1,5-diene

5-ethoxy-1-methoxyocta-1,5-diene (PubChem CID 87203458) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-ethoxy-1-methoxyocta-1,5-diene.

Molecular Properties

Compound Name5-ethoxy-1-methoxyocta-1,5-diene
PubChem CID87203458
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-ethoxy-1-methoxyocta-1,5-diene
SMILESCCC=C(CCC=COC)OCC
InChIInChI=1S/C11H20O2/c1-4-8-11(13-5-2)9-6-7-10-12-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyITBHMPQXQFUXEF-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methoxyocta-1,5-diene?
The IUPAC name of 5-ethoxy-1-methoxyocta-1,5-diene (CID 87203458) is 5-ethoxy-1-methoxyocta-1,5-diene.
What is the SMILES notation for 5-ethoxy-1-methoxyocta-1,5-diene?
The canonical SMILES for 5-ethoxy-1-methoxyocta-1,5-diene is CCC=C(CCC=COC)OCC.
What is the InChIKey of 5-ethoxy-1-methoxyocta-1,5-diene?
The InChIKey is ITBHMPQXQFUXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-8-11(13-5-2)9-6-7-10-12-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 5-ethoxy-1-methoxyocta-1,5-diene?
5-ethoxy-1-methoxyocta-1,5-diene has a molecular weight of 184.28 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methoxyocta-1,5-diene is sourced from PubChem (CID 87203458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).