(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene

C16H28 — CID 145317472

IUPAC(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
SMILESC=C(C)CC/C(C)=C/CC/C(C)=C/CCC
InChIInChI=1S/C16H28/c1-6-7-9-15(4)10-8-11-16(5)13-12-14(2)3/h9,11H,2,6-8,10,12-13H2,1,3-5H3/b15-9+,16-11+
InChIKeyJOKGTJRQQWDCCK-XGGJEREUSA-N
MW220.40 g/mol
LogP5.82
Rot. Bonds8

About (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene

(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene (PubChem CID 145317472) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene.

Molecular Properties

Compound Name(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
PubChem CID145317472
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
SMILESC=C(C)CC/C(C)=C/CC/C(C)=C/CCC
InChIInChI=1S/C16H28/c1-6-7-9-15(4)10-8-11-16(5)13-12-14(2)3/h9,11H,2,6-8,10,12-13H2,1,3-5H3/b15-9+,16-11+
InChIKeyJOKGTJRQQWDCCK-XGGJEREUSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.82
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

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CID 162079708
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CID 91581739
2,6-dimethylocta-1,5-diene
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(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(6E)-2,7-dimethyldeca-1,6-diene
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(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
CID 23553717
2,6-dimethyl-10-methylidenetrideca-2,6-diene
CID 141408483
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
CID 144526797
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene?
The IUPAC name of (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene (CID 145317472) is (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene.
What is the SMILES notation for (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene?
The canonical SMILES for (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene is C=C(C)CC/C(C)=C/CC/C(C)=C/CCC.
What is the InChIKey of (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene?
The InChIKey is JOKGTJRQQWDCCK-XGGJEREUSA-N. The full InChI is InChI=1S/C16H28/c1-6-7-9-15(4)10-8-11-16(5)13-12-14(2)3/h9,11H,2,6-8,10,12-13H2,1,3-5H3/b15-9+,16-11+.
What are the key properties of (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene?
(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene has a molecular weight of 220.40 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene is sourced from PubChem (CID 145317472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).