1-Octadecoxyethenylcyclohexane

C26H50O — CID 17888800

IUPAC1-octadecoxyethenylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCOC(=C)C1CCCCC1
InChIInChI=1S/C26H50O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-25(2)26-22-19-18-20-23-26/h26H,2-24H2,1H3
InChIKeyXWPDQLODFIISOR-UHFFFAOYSA-N
MW378.70 g/mol
LogP11.80
Rot. Bonds19

About 1-Octadecoxyethenylcyclohexane

1-Octadecoxyethenylcyclohexane (PubChem CID 17888800) has the molecular formula C26H50O and a molecular weight of 378.70 g/mol. Its IUPAC name is 1-octadecoxyethenylcyclohexane.

Molecular Properties

Compound Name1-Octadecoxyethenylcyclohexane
PubChem CID17888800
Molecular FormulaC26H50O
Molecular Weight378.70 g/mol
Exact Mass378.39
IUPAC Name1-octadecoxyethenylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCOC(=C)C1CCCCC1
InChIInChI=1S/C26H50O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-25(2)26-22-19-18-20-23-26/h26H,2-24H2,1H3
InChIKeyXWPDQLODFIISOR-UHFFFAOYSA-N
XLogP11.80
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity316

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.70
LogP ≤ 511.80
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-Octadecoxyethenylcyclohexane?
The IUPAC name of 1-Octadecoxyethenylcyclohexane (CID 17888800) is 1-octadecoxyethenylcyclohexane.
What is the SMILES notation for 1-Octadecoxyethenylcyclohexane?
The canonical SMILES for 1-Octadecoxyethenylcyclohexane is CCCCCCCCCCCCCCCCCCOC(=C)C1CCCCC1.
What is the InChIKey of 1-Octadecoxyethenylcyclohexane?
The InChIKey is XWPDQLODFIISOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-25(2)26-22-19-18-20-23-26/h26H,2-24H2,1H3.
What are the key properties of 1-Octadecoxyethenylcyclohexane?
1-Octadecoxyethenylcyclohexane has a molecular weight of 378.70 g/mol, XLogP of 11.80, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Octadecoxyethenylcyclohexane is sourced from PubChem (CID 17888800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).