(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene

C16H26 — CID 173246216

IUPAC(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene
SMILESCC=CCC1CC/C=C\CC/C=C\CCC1
InChIInChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h2-3,5,7-8,10,16H,4,6,9,11-15H2,1H3/b3-2?,7-5-,10-8-
InChIKeyHNRUFTWUPVIGMQ-DBKZFKNGSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds2

About (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene

(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene (PubChem CID 173246216) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene.

Molecular Properties

Compound Name(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene
PubChem CID173246216
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene
SMILESCC=CCC1CC/C=C\CC/C=C\CCC1
InChIInChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h2-3,5,7-8,10,16H,4,6,9,11-15H2,1H3/b3-2?,7-5-,10-8-
InChIKeyHNRUFTWUPVIGMQ-DBKZFKNGSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene?
The IUPAC name of (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene (CID 173246216) is (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene.
What is the SMILES notation for (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene?
The canonical SMILES for (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene is CC=CCC1CC/C=C\CC/C=C\CCC1.
What is the InChIKey of (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene?
The InChIKey is HNRUFTWUPVIGMQ-DBKZFKNGSA-N. The full InChI is InChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h2-3,5,7-8,10,16H,4,6,9,11-15H2,1H3/b3-2?,7-5-,10-8-.
What are the key properties of (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene?
(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene has a molecular weight of 218.38 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene is sourced from PubChem (CID 173246216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).