trideca-3,5,8-triene

C13H22 — CID 154411213

IUPACtrideca-3,5,8-triene
SMILESCCC=CC=CCC=CCCCC
InChIInChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7,9-12H,3-4,6,8,13H2,1-2H3
InChIKeyNRVMOZGWAURQIC-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds7

About trideca-3,5,8-triene

trideca-3,5,8-triene (PubChem CID 154411213) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is trideca-3,5,8-triene.

Molecular Properties

Compound Nametrideca-3,5,8-triene
PubChem CID154411213
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Nametrideca-3,5,8-triene
SMILESCCC=CC=CCC=CCCCC
InChIInChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7,9-12H,3-4,6,8,13H2,1-2H3
InChIKeyNRVMOZGWAURQIC-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

heptadeca-3,6,12-triene
CID 54220025
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3E,5Z,9Z)-pentadeca-3,5,9-triene
CID 90384035
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(2E,5E)-deca-2,5-diene
CID 6429648
pentadeca-3,5,7,9-tetraene
CID 151958393
2-methyldodeca-4,7-diene
CID 123659021

Frequently Asked Questions

What is the IUPAC name of trideca-3,5,8-triene?
The IUPAC name of trideca-3,5,8-triene (CID 154411213) is trideca-3,5,8-triene.
What is the SMILES notation for trideca-3,5,8-triene?
The canonical SMILES for trideca-3,5,8-triene is CCC=CC=CCC=CCCCC.
What is the InChIKey of trideca-3,5,8-triene?
The InChIKey is NRVMOZGWAURQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7,9-12H,3-4,6,8,13H2,1-2H3.
What are the key properties of trideca-3,5,8-triene?
trideca-3,5,8-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-3,5,8-triene is sourced from PubChem (CID 154411213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).