(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene

C16H26 — CID 10420952

IUPAC(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
SMILESCC(C)=C/C=C/CCC/C=C(\C)C=C(C)C
InChIInChI=1S/C16H26/c1-14(2)11-9-7-6-8-10-12-16(5)13-15(3)4/h7,9,11-13H,6,8,10H2,1-5H3/b9-7+,16-12+
InChIKeyNLUQEGKHULZDIJ-PBCDPYBESA-N
MW218.38 g/mol
LogP5.59
Rot. Bonds6

About (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene

(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene (PubChem CID 10420952) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene.

Molecular Properties

Compound Name(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
PubChem CID10420952
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
SMILESCC(C)=C/C=C/CCC/C=C(\C)C=C(C)C
InChIInChI=1S/C16H26/c1-14(2)11-9-7-6-8-10-12-16(5)13-15(3)4/h7,9,11-13H,6,8,10H2,1-5H3/b9-7+,16-12+
InChIKeyNLUQEGKHULZDIJ-PBCDPYBESA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene?
The IUPAC name of (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene (CID 10420952) is (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene.
What is the SMILES notation for (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene?
The canonical SMILES for (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene is CC(C)=C/C=C/CCC/C=C(\C)C=C(C)C.
What is the InChIKey of (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene?
The InChIKey is NLUQEGKHULZDIJ-PBCDPYBESA-N. The full InChI is InChI=1S/C16H26/c1-14(2)11-9-7-6-8-10-12-16(5)13-15(3)4/h7,9,11-13H,6,8,10H2,1-5H3/b9-7+,16-12+.
What are the key properties of (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene?
(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene has a molecular weight of 218.38 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene is sourced from PubChem (CID 10420952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).