(1E)-1,5,10-trimethylcyclododeca-1,3,5-triene

C15H24 — CID 173082678

IUPAC(1E)-1,5,10-trimethylcyclododeca-1,3,5-triene
SMILESCC1=CCCCC(C)CC/C(C)=C/C=C1
InChIInChI=1S/C15H24/c1-13-7-4-5-8-14(2)11-12-15(3)10-6-9-13/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3/b9-6?,13-7?,15-10+
InChIKeyCFUFHPKDMYTORO-USWFJPMESA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds

About (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene

(1E)-1,5,10-trimethylcyclododeca-1,3,5-triene (PubChem CID 173082678) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene.

Molecular Properties

Compound Name(1E)-1,5,10-trimethylcyclododeca-1,3,5-triene
PubChem CID173082678
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1E)-1,5,10-trimethylcyclododeca-1,3,5-triene
SMILESCC1=CCCCC(C)CC/C(C)=C/C=C1
InChIInChI=1S/C15H24/c1-13-7-4-5-8-14(2)11-12-15(3)10-6-9-13/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3/b9-6?,13-7?,15-10+
InChIKeyCFUFHPKDMYTORO-USWFJPMESA-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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene?
The IUPAC name of (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene (CID 173082678) is (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene.
What is the SMILES notation for (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene?
The canonical SMILES for (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene is CC1=CCCCC(C)CC/C(C)=C/C=C1.
What is the InChIKey of (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene?
The InChIKey is CFUFHPKDMYTORO-USWFJPMESA-N. The full InChI is InChI=1S/C15H24/c1-13-7-4-5-8-14(2)11-12-15(3)10-6-9-13/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3/b9-6?,13-7?,15-10+.
What are the key properties of (1E)-1,5,10-trimethylcyclododeca-1,3,5-triene?
(1E)-1,5,10-trimethylcyclododeca-1,3,5-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)-1,5,10-trimethylcyclododeca-1,3,5-triene is sourced from PubChem (CID 173082678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).