1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane

C22H36O2 — CID 18689223

IUPAC1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane
SMILESCCC/C=C/C=C/COC1CCC(OC/C=C/C=C/CCC)CC1
InChIInChI=1S/C22H36O2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h7-14,21-22H,3-6,15-20H2,1-2H3/b9-7+,10-8+,13-11+,14-12+
InChIKeyZBNKXCAZWGYJNZ-NOEJSRFCSA-N
MW332.53 g/mol
LogP6.16
Rot. Bonds12

About 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane

1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane (PubChem CID 18689223) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane.

Molecular Properties

Compound Name1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane
PubChem CID18689223
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane
SMILESCCC/C=C/C=C/COC1CCC(OC/C=C/C=C/CCC)CC1
InChIInChI=1S/C22H36O2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h7-14,21-22H,3-6,15-20H2,1-2H3/b9-7+,10-8+,13-11+,14-12+
InChIKeyZBNKXCAZWGYJNZ-NOEJSRFCSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane?
The IUPAC name of 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane (CID 18689223) is 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane.
What is the SMILES notation for 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane?
The canonical SMILES for 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane is CCC/C=C/C=C/COC1CCC(OC/C=C/C=C/CCC)CC1.
What is the InChIKey of 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane?
The InChIKey is ZBNKXCAZWGYJNZ-NOEJSRFCSA-N. The full InChI is InChI=1S/C22H36O2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h7-14,21-22H,3-6,15-20H2,1-2H3/b9-7+,10-8+,13-11+,14-12+.
What are the key properties of 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane?
1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane has a molecular weight of 332.53 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2E,4E)-octa-2,4-dienoxy]cyclohexane is sourced from PubChem (CID 18689223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).