2,6,6,9-tetramethylcycloundeca-1,4,8-triene

C15H24 — CID 23204

IUPAC2,6,6,9-tetramethylcycloundeca-1,4,8-triene
SMILESCC1=CCCC(C)=CCC(C)(C)C=CC1
InChIInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyFAMPSKZZVDUYOS-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds

About 2,6,6,9-tetramethylcycloundeca-1,4,8-triene

2,6,6,9-tetramethylcycloundeca-1,4,8-triene (PubChem CID 23204) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,6,6,9-tetramethylcycloundeca-1,4,8-triene.

Molecular Properties

Compound Name2,6,6,9-tetramethylcycloundeca-1,4,8-triene
PubChem CID23204
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,6,6,9-tetramethylcycloundeca-1,4,8-triene
SMILESCC1=CCCC(C)=CCC(C)(C)C=CC1
InChIInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyFAMPSKZZVDUYOS-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
The IUPAC name of 2,6,6,9-tetramethylcycloundeca-1,4,8-triene (CID 23204) is 2,6,6,9-tetramethylcycloundeca-1,4,8-triene.
What is the SMILES notation for 2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
The canonical SMILES for 2,6,6,9-tetramethylcycloundeca-1,4,8-triene is CC1=CCCC(C)=CCC(C)(C)C=CC1.
What is the InChIKey of 2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
The InChIKey is FAMPSKZZVDUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3.
What are the key properties of 2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
2,6,6,9-tetramethylcycloundeca-1,4,8-triene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,9-tetramethylcycloundeca-1,4,8-triene is sourced from PubChem (CID 23204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).