(2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene

C15H24 — CID 6429217

IUPAC(2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene
SMILESC/C=C(C)\C=C\C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6-,15-12+
InChIKeyJEKGHHPMLRLCIW-PTXCUWFCSA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds5

About (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene

(2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene (PubChem CID 6429217) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene.

Molecular Properties

Compound Name(2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene
PubChem CID6429217
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene
SMILESC/C=C(C)\C=C\C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6-,15-12+
InChIKeyJEKGHHPMLRLCIW-PTXCUWFCSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene?
The IUPAC name of (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene (CID 6429217) is (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene.
What is the SMILES notation for (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene?
The canonical SMILES for (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene is C/C=C(C)\C=C\C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene?
The InChIKey is JEKGHHPMLRLCIW-PTXCUWFCSA-N. The full InChI is InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6-,15-12+.
What are the key properties of (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene?
(2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene has a molecular weight of 204.36 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene is sourced from PubChem (CID 6429217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).