(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

C15H24 — CID 5281520

IUPAC(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
SMILESC/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1
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/b11-6+,13-7+,14-10+
InChIKeyFAMPSKZZVDUYOS-HRGUGZIWSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds

About (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene (PubChem CID 5281520) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene.

Molecular Properties

Compound Name(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
PubChem CID5281520
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
SMILESC/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1
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/b11-6+,13-7+,14-10+
InChIKeyFAMPSKZZVDUYOS-HRGUGZIWSA-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 (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
The IUPAC name of (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene (CID 5281520) is (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene.
What is the SMILES notation for (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
The canonical SMILES for (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene is C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1.
What is the InChIKey of (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
The InChIKey is FAMPSKZZVDUYOS-HRGUGZIWSA-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/b11-6+,13-7+,14-10+.
What are the key properties of (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene?
(1E,4E,8E)-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 (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene is sourced from PubChem (CID 5281520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).