1,5,9,9-tetramethylcycloundeca-1,4,7-triene

C15H24 — CID 564549

IUPAC1,5,9,9-tetramethylcycloundeca-1,4,7-triene
SMILESCC1=CCC=C(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/h6-8,11H,5,9-10,12H2,1-4H3
InChIKeyFVWQAXRELOCFSV-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds

About 1,5,9,9-tetramethylcycloundeca-1,4,7-triene

1,5,9,9-tetramethylcycloundeca-1,4,7-triene (PubChem CID 564549) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,5,9,9-tetramethylcycloundeca-1,4,7-triene.

Molecular Properties

Compound Name1,5,9,9-tetramethylcycloundeca-1,4,7-triene
PubChem CID564549
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,5,9,9-tetramethylcycloundeca-1,4,7-triene
SMILESCC1=CCC=C(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/h6-8,11H,5,9-10,12H2,1-4H3
InChIKeyFVWQAXRELOCFSV-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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Related Compounds

Humulene
CID 5281520
Dihydromyrcene
CID 17090
Dihydromyrcene, (+)-
CID 10887985
beta-Humulene
CID 5318102
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
Cyclohexene, trimethyl-
CID 79032
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
Dihydromyrcene, (-)-
CID 10997105
(1E,6E)-gamma-humulene
CID 6365330
(1Z,6E)-gamma-humulene
CID 14038477

Frequently Asked Questions

What is the IUPAC name of 1,5,9,9-tetramethylcycloundeca-1,4,7-triene?
The IUPAC name of 1,5,9,9-tetramethylcycloundeca-1,4,7-triene (CID 564549) is 1,5,9,9-tetramethylcycloundeca-1,4,7-triene.
What is the SMILES notation for 1,5,9,9-tetramethylcycloundeca-1,4,7-triene?
The canonical SMILES for 1,5,9,9-tetramethylcycloundeca-1,4,7-triene is CC1=CCC=C(C)CCC(C)(C)C=CC1.
What is the InChIKey of 1,5,9,9-tetramethylcycloundeca-1,4,7-triene?
The InChIKey is FVWQAXRELOCFSV-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/h6-8,11H,5,9-10,12H2,1-4H3.
What are the key properties of 1,5,9,9-tetramethylcycloundeca-1,4,7-triene?
1,5,9,9-tetramethylcycloundeca-1,4,7-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 1,5,9,9-tetramethylcycloundeca-1,4,7-triene is sourced from PubChem (CID 564549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).