12-methyltrideca-1,5,9,11-tetraene

C14H22 — CID 564371

IUPAC12-methyltrideca-1,5,9,11-tetraene
SMILESC=CCCC=CCCC=CC=C(C)C
InChIInChI=1S/C14H22/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4,7-8,11-13H,1,5-6,9-10H2,2-3H3
InChIKeyJSNIXUNQFVQSSK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.81
Rot. Bonds7

About 12-methyltrideca-1,5,9,11-tetraene

12-methyltrideca-1,5,9,11-tetraene (PubChem CID 564371) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 12-methyltrideca-1,5,9,11-tetraene.

Molecular Properties

Compound Name12-methyltrideca-1,5,9,11-tetraene
PubChem CID564371
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name12-methyltrideca-1,5,9,11-tetraene
SMILESC=CCCC=CCCC=CC=C(C)C
InChIInChI=1S/C14H22/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4,7-8,11-13H,1,5-6,9-10H2,2-3H3
InChIKeyJSNIXUNQFVQSSK-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Lycopene
CID 446925
Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658

Frequently Asked Questions

What is the IUPAC name of 12-methyltrideca-1,5,9,11-tetraene?
The IUPAC name of 12-methyltrideca-1,5,9,11-tetraene (CID 564371) is 12-methyltrideca-1,5,9,11-tetraene.
What is the SMILES notation for 12-methyltrideca-1,5,9,11-tetraene?
The canonical SMILES for 12-methyltrideca-1,5,9,11-tetraene is C=CCCC=CCCC=CC=C(C)C.
What is the InChIKey of 12-methyltrideca-1,5,9,11-tetraene?
The InChIKey is JSNIXUNQFVQSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4,7-8,11-13H,1,5-6,9-10H2,2-3H3.
What are the key properties of 12-methyltrideca-1,5,9,11-tetraene?
12-methyltrideca-1,5,9,11-tetraene has a molecular weight of 190.33 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyltrideca-1,5,9,11-tetraene is sourced from PubChem (CID 564371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).