(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene

C15H24 — CID 5365777

IUPAC(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene
SMILESC/C1=C/CC/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-
InChIKeyXOTMHDVYZZBKEJ-PEFAHGPYSA-N
MW204.36 g/mol
LogP5.18
Rot. Bonds

About (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene

(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene (PubChem CID 5365777) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene.

Molecular Properties

Compound Name(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene
PubChem CID5365777
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene
SMILESC/C1=C/CC/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-
InChIKeyXOTMHDVYZZBKEJ-PEFAHGPYSA-N
XLogP5.18
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 ≤ 55.18
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

Terpinolene
CID 11463
Myrcene
CID 31253
Squalene
CID 638072
Gamma-Terpinene
CID 7461
Humulene
CID 5281520
Farnesene
CID 5281516
beta-Farnesene
CID 5281517
2-Octene
CID 5364448
2,4,4-Trimethyl-2-pentene
CID 7869
Dihydromyrcene
CID 17090
Dihydromyrcene, (+)-
CID 10887985
trans-5-Decene
CID 637820

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene?
The IUPAC name of (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene (CID 5365777) is (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene.
What is the SMILES notation for (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene?
The canonical SMILES for (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene is C/C1=C/CC/C(C)=C\CC/C(C)=C\CC1.
What is the InChIKey of (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene?
The InChIKey is XOTMHDVYZZBKEJ-PEFAHGPYSA-N. The full InChI is InChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-.
What are the key properties of (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene?
(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene has a molecular weight of 204.36 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene is sourced from PubChem (CID 5365777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).