trideca-1,8,10-triene

C13H22 — CID 548898

IUPACtrideca-1,8,10-triene
SMILESC=CCCCCCC=CC=CCC
InChIInChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13H2,2H3
InChIKeyBUPYQWCKNDOIJS-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds8

About trideca-1,8,10-triene

trideca-1,8,10-triene (PubChem CID 548898) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is trideca-1,8,10-triene.

Molecular Properties

Compound Nametrideca-1,8,10-triene
PubChem CID548898
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Nametrideca-1,8,10-triene
SMILESC=CCCCCCC=CC=CCC
InChIInChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13H2,2H3
InChIKeyBUPYQWCKNDOIJS-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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

(12Z,14Z)-heptadeca-1,12,14-triene
CID 6443230
heptadeca-1,9,11,14-tetraene
CID 163014709
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
trideca-1,10-diene
CID 54351837
nonacosa-1,7,9,21-tetraene
CID 175853197
tetradeca-1,5,7-triene
CID 174048281
13-chlorotrideca-3,5-diene
CID 168861620
hexadeca-1,5,13-triene
CID 174048718
undeca-1,3-diene;undec-1-ene
CID 159743461
pentadeca-10,12-dien-1-ol
CID 71370409
pentadeca-1,3,12-triene
CID 174048351
(7E,9E)-dodeca-7,9-dienal
CID 5368951

Frequently Asked Questions

What is the IUPAC name of trideca-1,8,10-triene?
The IUPAC name of trideca-1,8,10-triene (CID 548898) is trideca-1,8,10-triene.
What is the SMILES notation for trideca-1,8,10-triene?
The canonical SMILES for trideca-1,8,10-triene is C=CCCCCCC=CC=CCC.
What is the InChIKey of trideca-1,8,10-triene?
The InChIKey is BUPYQWCKNDOIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13H2,2H3.
What are the key properties of trideca-1,8,10-triene?
trideca-1,8,10-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-1,8,10-triene is sourced from PubChem (CID 548898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).