(1Z,9E)-cyclooctadeca-1,9-diene

C18H32 — CID 143896650

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

About (1Z,9E)-cyclooctadeca-1,9-diene

(1Z,9E)-cyclooctadeca-1,9-diene (PubChem CID 143896650) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (1Z,9E)-cyclooctadeca-1,9-diene.

Molecular Properties

Compound Name(1Z,9E)-cyclooctadeca-1,9-diene
PubChem CID143896650
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(1Z,9E)-cyclooctadeca-1,9-diene
SMILESC1=C\CCCCCCCC/C=C/CCCCCC/1
InChIInChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-2,15,17H,3-14,16,18H2/b2-1-,17-15+
InChIKeyDVAWKVQPXAAJBA-JWAPFZNZSA-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 (1Z,9E)-cyclooctadeca-1,9-diene?
The IUPAC name of (1Z,9E)-cyclooctadeca-1,9-diene (CID 143896650) is (1Z,9E)-cyclooctadeca-1,9-diene.
What is the SMILES notation for (1Z,9E)-cyclooctadeca-1,9-diene?
The canonical SMILES for (1Z,9E)-cyclooctadeca-1,9-diene is C1=C\CCCCCCCC/C=C/CCCCCC/1.
What is the InChIKey of (1Z,9E)-cyclooctadeca-1,9-diene?
The InChIKey is DVAWKVQPXAAJBA-JWAPFZNZSA-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/h1-2,15,17H,3-14,16,18H2/b2-1-,17-15+.
What are the key properties of (1Z,9E)-cyclooctadeca-1,9-diene?
(1Z,9E)-cyclooctadeca-1,9-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 (1Z,9E)-cyclooctadeca-1,9-diene is sourced from PubChem (CID 143896650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).