[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate

C14H22O2 — CID 6437283

IUPAC[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate
SMILESCC(=O)OC1CC/C=C\CC/C=C/CCC1
InChIInChI=1S/C14H22O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6-
InChIKeySNNVDGLEOWNXND-GMWFMGJWSA-N
MW222.33 g/mol
LogP3.77
Rot. Bonds1

About [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate

[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate (PubChem CID 6437283) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate.

Molecular Properties

Compound Name[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate
PubChem CID6437283
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate
SMILESCC(=O)OC1CC/C=C\CC/C=C/CCC1
InChIInChI=1S/C14H22O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6-
InChIKeySNNVDGLEOWNXND-GMWFMGJWSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate 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 [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate?
The IUPAC name of [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate (CID 6437283) is [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate.
What is the SMILES notation for [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate?
The canonical SMILES for [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate is CC(=O)OC1CC/C=C\CC/C=C/CCC1.
What is the InChIKey of [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate?
The InChIKey is SNNVDGLEOWNXND-GMWFMGJWSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6-.
What are the key properties of [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate?
[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate has a molecular weight of 222.33 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate is sourced from PubChem (CID 6437283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).