(1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene

C16H26O — CID 19002281

IUPAC(1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene
SMILESCCCC/C=C/C=C/O/C=C/C=C/CCCC
InChIInChI=1S/C16H26O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9-16H,3-8H2,1-2H3/b11-9+,12-10+,15-13+,16-14+
InChIKeyVJOVLWOJWKWJDW-UYFZKRQQSA-N
MW234.38 g/mol
LogP5.52
Rot. Bonds10

About (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene

(1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene (PubChem CID 19002281) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene
PubChem CID19002281
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene
SMILESCCCC/C=C/C=C/O/C=C/C=C/CCCC
InChIInChI=1S/C16H26O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9-16H,3-8H2,1-2H3/b11-9+,12-10+,15-13+,16-14+
InChIKeyVJOVLWOJWKWJDW-UYFZKRQQSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene?
The IUPAC name of (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene (CID 19002281) is (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene.
What is the SMILES notation for (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene?
The canonical SMILES for (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene is CCCC/C=C/C=C/O/C=C/C=C/CCCC.
What is the InChIKey of (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene?
The InChIKey is VJOVLWOJWKWJDW-UYFZKRQQSA-N. The full InChI is InChI=1S/C16H26O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h9-16H,3-8H2,1-2H3/b11-9+,12-10+,15-13+,16-14+.
What are the key properties of (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene?
(1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene has a molecular weight of 234.38 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene is sourced from PubChem (CID 19002281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).