7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene

C16H26 — CID 72738899

IUPAC7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
SMILESC=CC(C)=CCC=C(CC)CCC=C(C)C
InChIInChI=1S/C16H26/c1-6-15(5)11-9-13-16(7-2)12-8-10-14(3)4/h6,10-11,13H,1,7-9,12H2,2-5H3
InChIKeyLPHPRLLVGKQFEL-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.59
Rot. Bonds7

About 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene

7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene (PubChem CID 72738899) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
PubChem CID72738899
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
SMILESC=CC(C)=CCC=C(CC)CCC=C(C)C
InChIInChI=1S/C16H26/c1-6-15(5)11-9-13-16(7-2)12-8-10-14(3)4/h6,10-11,13H,1,7-9,12H2,2-5H3
InChIKeyLPHPRLLVGKQFEL-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.59
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 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
The IUPAC name of 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene (CID 72738899) is 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene.
What is the SMILES notation for 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
The canonical SMILES for 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene is C=CC(C)=CCC=C(CC)CCC=C(C)C.
What is the InChIKey of 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
The InChIKey is LPHPRLLVGKQFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-6-15(5)11-9-13-16(7-2)12-8-10-14(3)4/h6,10-11,13H,1,7-9,12H2,2-5H3.
What are the key properties of 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene has a molecular weight of 218.38 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene is sourced from PubChem (CID 72738899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).