(3E,5Z)-10,10-dimethylundeca-3,5,8-triene

C13H22 — CID 143682168

IUPAC(3E,5Z)-10,10-dimethylundeca-3,5,8-triene
SMILESCC/C=C/C=C\CC=CC(C)(C)C
InChIInChI=1S/C13H22/c1-5-6-7-8-9-10-11-12-13(2,3)4/h6-9,11-12H,5,10H2,1-4H3/b7-6+,9-8-,12-11?
InChIKeyAYLUFLMWIIQLAR-GMQHKBFXSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds4

About (3E,5Z)-10,10-dimethylundeca-3,5,8-triene

(3E,5Z)-10,10-dimethylundeca-3,5,8-triene (PubChem CID 143682168) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3E,5Z)-10,10-dimethylundeca-3,5,8-triene.

Molecular Properties

Compound Name(3E,5Z)-10,10-dimethylundeca-3,5,8-triene
PubChem CID143682168
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3E,5Z)-10,10-dimethylundeca-3,5,8-triene
SMILESCC/C=C/C=C\CC=CC(C)(C)C
InChIInChI=1S/C13H22/c1-5-6-7-8-9-10-11-12-13(2,3)4/h6-9,11-12H,5,10H2,1-4H3/b7-6+,9-8-,12-11?
InChIKeyAYLUFLMWIIQLAR-GMQHKBFXSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-10,10-dimethylundeca-3,5,8-triene?
The IUPAC name of (3E,5Z)-10,10-dimethylundeca-3,5,8-triene (CID 143682168) is (3E,5Z)-10,10-dimethylundeca-3,5,8-triene.
What is the SMILES notation for (3E,5Z)-10,10-dimethylundeca-3,5,8-triene?
The canonical SMILES for (3E,5Z)-10,10-dimethylundeca-3,5,8-triene is CC/C=C/C=C\CC=CC(C)(C)C.
What is the InChIKey of (3E,5Z)-10,10-dimethylundeca-3,5,8-triene?
The InChIKey is AYLUFLMWIIQLAR-GMQHKBFXSA-N. The full InChI is InChI=1S/C13H22/c1-5-6-7-8-9-10-11-12-13(2,3)4/h6-9,11-12H,5,10H2,1-4H3/b7-6+,9-8-,12-11?.
What are the key properties of (3E,5Z)-10,10-dimethylundeca-3,5,8-triene?
(3E,5Z)-10,10-dimethylundeca-3,5,8-triene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-10,10-dimethylundeca-3,5,8-triene is sourced from PubChem (CID 143682168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).