(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene

C16H26 — CID 14753114

IUPAC(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
SMILESC=C/C(C)=C/C/C=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/b15-11+,16-13+
InChIKeyLPHPRLLVGKQFEL-NWFDBUFXSA-N
MW218.38 g/mol
LogP5.59
Rot. Bonds7

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

(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene (PubChem CID 14753114) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
PubChem CID14753114
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
SMILESC=C/C(C)=C/C/C=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/b15-11+,16-13+
InChIKeyLPHPRLLVGKQFEL-NWFDBUFXSA-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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Related Compounds

(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
CID 22236783
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
CID 156748576
(6E,10E)-10-ethyl-2,6-dimethyldodeca-2,6,10-triene
CID 169000868
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
3-methylhepta-1,3,6-triene
CID 71444747
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
CID 123903824
(3S)-3-[(3E,7E,11E,15E)-12-ethyl-3,7,16,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane
CID 102315854
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
The IUPAC name of (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene (CID 14753114) is (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene.
What is the SMILES notation for (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
The canonical SMILES for (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene is C=C/C(C)=C/C/C=C(\CC)CCC=C(C)C.
What is the InChIKey of (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
The InChIKey is LPHPRLLVGKQFEL-NWFDBUFXSA-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/b15-11+,16-13+.
What are the key properties of (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene?
(3E,6E)-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 (3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene is sourced from PubChem (CID 14753114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).