(3Z,5E)-6,8-dimethylnona-1,3,5-triene

C11H18 — CID 174045679

IUPAC(3Z,5E)-6,8-dimethylnona-1,3,5-triene
SMILESC=C/C=C\C=C(/C)CC(C)C
InChIInChI=1S/C11H18/c1-5-6-7-8-11(4)9-10(2)3/h5-8,10H,1,9H2,2-4H3/b7-6-,11-8+
InChIKeyROJSDRJEPNIKOS-BQGCWICQSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds4

About (3Z,5E)-6,8-dimethylnona-1,3,5-triene

(3Z,5E)-6,8-dimethylnona-1,3,5-triene (PubChem CID 174045679) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3Z,5E)-6,8-dimethylnona-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6,8-dimethylnona-1,3,5-triene
PubChem CID174045679
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3Z,5E)-6,8-dimethylnona-1,3,5-triene
SMILESC=C/C=C\C=C(/C)CC(C)C
InChIInChI=1S/C11H18/c1-5-6-7-8-11(4)9-10(2)3/h5-8,10H,1,9H2,2-4H3/b7-6-,11-8+
InChIKeyROJSDRJEPNIKOS-BQGCWICQSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,8-dimethylnona-1,3,5-triene?
The IUPAC name of (3Z,5E)-6,8-dimethylnona-1,3,5-triene (CID 174045679) is (3Z,5E)-6,8-dimethylnona-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6,8-dimethylnona-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6,8-dimethylnona-1,3,5-triene is C=C/C=C\C=C(/C)CC(C)C.
What is the InChIKey of (3Z,5E)-6,8-dimethylnona-1,3,5-triene?
The InChIKey is ROJSDRJEPNIKOS-BQGCWICQSA-N. The full InChI is InChI=1S/C11H18/c1-5-6-7-8-11(4)9-10(2)3/h5-8,10H,1,9H2,2-4H3/b7-6-,11-8+.
What are the key properties of (3Z,5E)-6,8-dimethylnona-1,3,5-triene?
(3Z,5E)-6,8-dimethylnona-1,3,5-triene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6,8-dimethylnona-1,3,5-triene is sourced from PubChem (CID 174045679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).