5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene

C17H28 — CID 59775223

IUPAC5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene
SMILESC=CCC=C(C)C(C)C=C(C)CCC=C(C)C
InChIInChI=1S/C17H28/c1-7-8-12-16(5)17(6)13-15(4)11-9-10-14(2)3/h7,10,12-13,17H,1,8-9,11H2,2-6H3
InChIKeyFLDDEUOWLQNYKE-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.84
Rot. Bonds7

About 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene

5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene (PubChem CID 59775223) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene.

Molecular Properties

Compound Name5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene
PubChem CID59775223
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene
SMILESC=CCC=C(C)C(C)C=C(C)CCC=C(C)C
InChIInChI=1S/C17H28/c1-7-8-12-16(5)17(6)13-15(4)11-9-10-14(2)3/h7,10,12-13,17H,1,8-9,11H2,2-6H3
InChIKeyFLDDEUOWLQNYKE-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.84
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

(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
[(5E)-6,10-dimethylundeca-1,5,9-trien-4-yl]-trimethylsilane
CID 11172755
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine
CID 138519204
(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene
CID 158643699
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
3,7,11-trimethyldodeca-1,4,6,10-tetraen-2-ol
CID 74014383
(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
CID 20695263
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
(7Z)-8,12-dimethyltrideca-7,11-diene-2,6-diol
CID 170337767
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
CID 6433322

Frequently Asked Questions

What is the IUPAC name of 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene?
The IUPAC name of 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene (CID 59775223) is 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene.
What is the SMILES notation for 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene?
The canonical SMILES for 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene is C=CCC=C(C)C(C)C=C(C)CCC=C(C)C.
What is the InChIKey of 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene?
The InChIKey is FLDDEUOWLQNYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-7-8-12-16(5)17(6)13-15(4)11-9-10-14(2)3/h7,10,12-13,17H,1,8-9,11H2,2-6H3.
What are the key properties of 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene?
5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene has a molecular weight of 232.41 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene is sourced from PubChem (CID 59775223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).