(18E)-1-oxacycloicos-18-ene

C19H36O — CID 21321167

IUPAC(18E)-1-oxacycloicos-18-ene
SMILESC1=C/COCCCCCCCCCCCCCCCC/1
InChIInChI=1S/C19H36O/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h14,16H,1-13,15,17-19H2/b16-14+
InChIKeyXPMOZDYOGGWIIE-JQIJEIRASA-N
MW280.50 g/mol
LogP6.42
Rot. Bonds

About (18E)-1-oxacycloicos-18-ene

(18E)-1-oxacycloicos-18-ene (PubChem CID 21321167) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (18E)-1-oxacycloicos-18-ene.

Molecular Properties

Compound Name(18E)-1-oxacycloicos-18-ene
PubChem CID21321167
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(18E)-1-oxacycloicos-18-ene
SMILESC1=C/COCCCCCCCCCCCCCCCC/1
InChIInChI=1S/C19H36O/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h14,16H,1-13,15,17-19H2/b16-14+
InChIKeyXPMOZDYOGGWIIE-JQIJEIRASA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (18E)-1-oxacycloicos-18-ene?
The IUPAC name of (18E)-1-oxacycloicos-18-ene (CID 21321167) is (18E)-1-oxacycloicos-18-ene.
What is the SMILES notation for (18E)-1-oxacycloicos-18-ene?
The canonical SMILES for (18E)-1-oxacycloicos-18-ene is C1=C/COCCCCCCCCCCCCCCCC/1.
What is the InChIKey of (18E)-1-oxacycloicos-18-ene?
The InChIKey is XPMOZDYOGGWIIE-JQIJEIRASA-N. The full InChI is InChI=1S/C19H36O/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h14,16H,1-13,15,17-19H2/b16-14+.
What are the key properties of (18E)-1-oxacycloicos-18-ene?
(18E)-1-oxacycloicos-18-ene has a molecular weight of 280.50 g/mol, XLogP of 6.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (18E)-1-oxacycloicos-18-ene is sourced from PubChem (CID 21321167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).