2-tetradecan-7-yl-1,4-dioxane

C18H36O2 — CID 167170109

IUPAC2-tetradecan-7-yl-1,4-dioxane
SMILESCCCCCCCC(CCCCCC)C1COCCO1
InChIInChI=1S/C18H36O2/c1-3-5-7-9-11-13-17(12-10-8-6-4-2)18-16-19-14-15-20-18/h17-18H,3-16H2,1-2H3
InChIKeyQGZLWZXJJLEJFN-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.35
Rot. Bonds12

About 2-tetradecan-7-yl-1,4-dioxane

2-tetradecan-7-yl-1,4-dioxane (PubChem CID 167170109) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-tetradecan-7-yl-1,4-dioxane.

Molecular Properties

Compound Name2-tetradecan-7-yl-1,4-dioxane
PubChem CID167170109
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-tetradecan-7-yl-1,4-dioxane
SMILESCCCCCCCC(CCCCCC)C1COCCO1
InChIInChI=1S/C18H36O2/c1-3-5-7-9-11-13-17(12-10-8-6-4-2)18-16-19-14-15-20-18/h17-18H,3-16H2,1-2H3
InChIKeyQGZLWZXJJLEJFN-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-tetradecan-7-yl-1,4-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-tetradecan-7-yl-1,4-dioxane?
The IUPAC name of 2-tetradecan-7-yl-1,4-dioxane (CID 167170109) is 2-tetradecan-7-yl-1,4-dioxane.
What is the SMILES notation for 2-tetradecan-7-yl-1,4-dioxane?
The canonical SMILES for 2-tetradecan-7-yl-1,4-dioxane is CCCCCCCC(CCCCCC)C1COCCO1.
What is the InChIKey of 2-tetradecan-7-yl-1,4-dioxane?
The InChIKey is QGZLWZXJJLEJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-5-7-9-11-13-17(12-10-8-6-4-2)18-16-19-14-15-20-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 2-tetradecan-7-yl-1,4-dioxane?
2-tetradecan-7-yl-1,4-dioxane has a molecular weight of 284.48 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecan-7-yl-1,4-dioxane is sourced from PubChem (CID 167170109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).