(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene

C16H26 — CID 10465989

IUPAC(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene
SMILESC/C=C/C(C)=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,12-13H,7-8,11H2,1-5H3/b9-6+,15-12+,16-13+
InChIKeyISKVERROBUPNQJ-MECMVULQSA-N
MW218.38 g/mol
LogP5.59
Rot. Bonds6

About (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene

(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene (PubChem CID 10465989) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene.

Molecular Properties

Compound Name(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene
PubChem CID10465989
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene
SMILESC/C=C/C(C)=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,12-13H,7-8,11H2,1-5H3/b9-6+,15-12+,16-13+
InChIKeyISKVERROBUPNQJ-MECMVULQSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
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Frequently Asked Questions

What is the IUPAC name of (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene?
The IUPAC name of (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene (CID 10465989) is (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene.
What is the SMILES notation for (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene?
The canonical SMILES for (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene is C/C=C/C(C)=C/C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene?
The InChIKey is ISKVERROBUPNQJ-MECMVULQSA-N. The full InChI is InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,12-13H,7-8,11H2,1-5H3/b9-6+,15-12+,16-13+.
What are the key properties of (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene?
(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-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 (2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene is sourced from PubChem (CID 10465989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).