(1E)-cyclooctadeca-1,8-diene

C18H32 — CID 173129359

IUPAC(1E)-cyclooctadeca-1,8-diene
SMILESC1=CCCCCCCCCC/C=C/CCCCC1
InChIInChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-2,13,15H,3-12,14,16-18H2/b2-1+,15-13?
InChIKeyOVTTYADREZNHIS-VSBQMXMUSA-N
MW248.45 g/mol
LogP6.57
Rot. Bonds

About (1E)-cyclooctadeca-1,8-diene

(1E)-cyclooctadeca-1,8-diene (PubChem CID 173129359) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (1E)-cyclooctadeca-1,8-diene.

Molecular Properties

Compound Name(1E)-cyclooctadeca-1,8-diene
PubChem CID173129359
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(1E)-cyclooctadeca-1,8-diene
SMILESC1=CCCCCCCCCC/C=C/CCCCC1
InChIInChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-2,13,15H,3-12,14,16-18H2/b2-1+,15-13?
InChIKeyOVTTYADREZNHIS-VSBQMXMUSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1E)-cyclooctadeca-1,8-diene?
The IUPAC name of (1E)-cyclooctadeca-1,8-diene (CID 173129359) is (1E)-cyclooctadeca-1,8-diene.
What is the SMILES notation for (1E)-cyclooctadeca-1,8-diene?
The canonical SMILES for (1E)-cyclooctadeca-1,8-diene is C1=CCCCCCCCCC/C=C/CCCCC1.
What is the InChIKey of (1E)-cyclooctadeca-1,8-diene?
The InChIKey is OVTTYADREZNHIS-VSBQMXMUSA-N. The full InChI is InChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-2,13,15H,3-12,14,16-18H2/b2-1+,15-13?.
What are the key properties of (1E)-cyclooctadeca-1,8-diene?
(1E)-cyclooctadeca-1,8-diene has a molecular weight of 248.45 g/mol, XLogP of 6.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-cyclooctadeca-1,8-diene is sourced from PubChem (CID 173129359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).