2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane

C15H26O2 — CID 87997072

IUPAC2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane
SMILESCCCCC/C=C(C)/C(C)=C/C1OCCCO1
InChIInChI=1S/C15H26O2/c1-4-5-6-7-9-13(2)14(3)12-15-16-10-8-11-17-15/h9,12,15H,4-8,10-11H2,1-3H3/b13-9+,14-12+
InChIKeyAWLOIXBMUXRDAG-IHJNGOQESA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds6

About 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane

2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane (PubChem CID 87997072) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane
PubChem CID87997072
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane
SMILESCCCCC/C=C(C)/C(C)=C/C1OCCCO1
InChIInChI=1S/C15H26O2/c1-4-5-6-7-9-13(2)14(3)12-15-16-10-8-11-17-15/h9,12,15H,4-8,10-11H2,1-3H3/b13-9+,14-12+
InChIKeyAWLOIXBMUXRDAG-IHJNGOQESA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane 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 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane?
The IUPAC name of 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane (CID 87997072) is 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane.
What is the SMILES notation for 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane?
The canonical SMILES for 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane is CCCCC/C=C(C)/C(C)=C/C1OCCCO1.
What is the InChIKey of 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane?
The InChIKey is AWLOIXBMUXRDAG-IHJNGOQESA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-9-13(2)14(3)12-15-16-10-8-11-17-15/h9,12,15H,4-8,10-11H2,1-3H3/b13-9+,14-12+.
What are the key properties of 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane?
2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane has a molecular weight of 238.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane is sourced from PubChem (CID 87997072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).