(1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene

C13H20 — CID 143353522

IUPAC(1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene
SMILESC=C1/C=C\C=C/CCC(CCC)C1
InChIInChI=1S/C13H20/c1-3-8-13-10-7-5-4-6-9-12(2)11-13/h4-6,9,13H,2-3,7-8,10-11H2,1H3/b5-4-,9-6-
InChIKeyXVACWGLYXWUMBI-WXOLFVLTSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds2

About (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene

(1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene (PubChem CID 143353522) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene
PubChem CID143353522
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene
SMILESC=C1/C=C\C=C/CCC(CCC)C1
InChIInChI=1S/C13H20/c1-3-8-13-10-7-5-4-6-9-12(2)11-13/h4-6,9,13H,2-3,7-8,10-11H2,1H3/b5-4-,9-6-
InChIKeyXVACWGLYXWUMBI-WXOLFVLTSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-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,3Z)-5-methylidene-7-propylcyclonona-1,3-diene?
The IUPAC name of (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene (CID 143353522) is (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene.
What is the SMILES notation for (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene?
The canonical SMILES for (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene is C=C1/C=C\C=C/CCC(CCC)C1.
What is the InChIKey of (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene?
The InChIKey is XVACWGLYXWUMBI-WXOLFVLTSA-N. The full InChI is InChI=1S/C13H20/c1-3-8-13-10-7-5-4-6-9-12(2)11-13/h4-6,9,13H,2-3,7-8,10-11H2,1H3/b5-4-,9-6-.
What are the key properties of (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene?
(1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-methylidene-7-propylcyclonona-1,3-diene is sourced from PubChem (CID 143353522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).