2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane

C17H28O2 — CID 90238481

IUPAC2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane
SMILESCC(C)=CCCC(C)=CC=CC1(C)OCC(C)CO1
InChIInChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-17(5)18-12-16(4)13-19-17/h7-8,10-11,16H,6,9,12-13H2,1-5H3
InChIKeyFJOQWLAKZHLLNU-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.63
Rot. Bonds5

About 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane

2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane (PubChem CID 90238481) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane
PubChem CID90238481
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane
SMILESCC(C)=CCCC(C)=CC=CC1(C)OCC(C)CO1
InChIInChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-17(5)18-12-16(4)13-19-17/h7-8,10-11,16H,6,9,12-13H2,1-5H3
InChIKeyFJOQWLAKZHLLNU-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane (CID 90238481) is 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane is CC(C)=CCCC(C)=CC=CC1(C)OCC(C)CO1.
What is the InChIKey of 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane?
The InChIKey is FJOQWLAKZHLLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-17(5)18-12-16(4)13-19-17/h7-8,10-11,16H,6,9,12-13H2,1-5H3.
What are the key properties of 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane?
2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane has a molecular weight of 264.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 90238481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).