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

C18H28O2 — CID 25154018

IUPAC1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane
SMILESC/C=C/C=C/COC1CCCCC1OC/C=C/C=C/C
InChIInChI=1S/C18H28O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h3-8,11-12,17-18H,9-10,13-16H2,1-2H3/b5-3+,6-4+,11-7+,12-8+
InChIKeyDAYQTWHBGRKKOK-MDFKTZBMSA-N
MW276.42 g/mol
LogP4.60
Rot. Bonds8

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

1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane (PubChem CID 25154018) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane.

Molecular Properties

Compound Name1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane
PubChem CID25154018
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane
SMILESC/C=C/C=C/COC1CCCCC1OC/C=C/C=C/C
InChIInChI=1S/C18H28O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h3-8,11-12,17-18H,9-10,13-16H2,1-2H3/b5-3+,6-4+,11-7+,12-8+
InChIKeyDAYQTWHBGRKKOK-MDFKTZBMSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.60
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 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane?
The IUPAC name of 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane (CID 25154018) is 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane.
What is the SMILES notation for 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane?
The canonical SMILES for 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane is C/C=C/C=C/COC1CCCCC1OC/C=C/C=C/C.
What is the InChIKey of 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane?
The InChIKey is DAYQTWHBGRKKOK-MDFKTZBMSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h3-8,11-12,17-18H,9-10,13-16H2,1-2H3/b5-3+,6-4+,11-7+,12-8+.
What are the key properties of 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane?
1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane has a molecular weight of 276.42 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2E,4E)-hexa-2,4-dienoxy]cyclohexane is sourced from PubChem (CID 25154018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).