(5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene

C14H26O2 — CID 102247678

IUPAC(5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene
SMILESC=CC(C/C=C/CCOCC)CCOCC
InChIInChI=1S/C14H26O2/c1-4-14(11-13-16-6-3)10-8-7-9-12-15-5-2/h4,7-8,14H,1,5-6,9-13H2,2-3H3/b8-7+
InChIKeyLCKNBZDBZCJQBQ-BQYQJAHWSA-N
MW226.36 g/mol
LogP3.59
Rot. Bonds11

About (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene

(5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene (PubChem CID 102247678) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene.

Molecular Properties

Compound Name(5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene
PubChem CID102247678
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene
SMILESC=CC(C/C=C/CCOCC)CCOCC
InChIInChI=1S/C14H26O2/c1-4-14(11-13-16-6-3)10-8-7-9-12-15-5-2/h4,7-8,14H,1,5-6,9-13H2,2-3H3/b8-7+
InChIKeyLCKNBZDBZCJQBQ-BQYQJAHWSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene?
The IUPAC name of (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene (CID 102247678) is (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene.
What is the SMILES notation for (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene?
The canonical SMILES for (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene is C=CC(C/C=C/CCOCC)CCOCC.
What is the InChIKey of (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene?
The InChIKey is LCKNBZDBZCJQBQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(11-13-16-6-3)10-8-7-9-12-15-5-2/h4,7-8,14H,1,5-6,9-13H2,2-3H3/b8-7+.
What are the key properties of (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene?
(5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene has a molecular weight of 226.36 g/mol, XLogP of 3.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-8-ethoxy-3-(2-ethoxyethyl)octa-1,5-diene is sourced from PubChem (CID 102247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).