trideca-2,4,6,8-tetraene

C13H20 — CID 54117998

IUPACtrideca-2,4,6,8-tetraene
SMILESCC=CC=CC=CC=CCCCC
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9-13H,4,6,8H2,1-2H3
InChIKeyFDDDBJAGIWCVPL-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds6

About trideca-2,4,6,8-tetraene

trideca-2,4,6,8-tetraene (PubChem CID 54117998) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is trideca-2,4,6,8-tetraene.

Molecular Properties

Compound Nametrideca-2,4,6,8-tetraene
PubChem CID54117998
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nametrideca-2,4,6,8-tetraene
SMILESCC=CC=CC=CC=CCCCC
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9-13H,4,6,8H2,1-2H3
InChIKeyFDDDBJAGIWCVPL-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
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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Related Compounds

(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
(22E)-heptatetraconta-22,24-diene
CID 56629131
pentadeca-3,5,7,9-tetraene
CID 151958393
(1E)-octa-1,3-dien-1-ol
CID 154003406
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601

Frequently Asked Questions

What is the IUPAC name of trideca-2,4,6,8-tetraene?
The IUPAC name of trideca-2,4,6,8-tetraene (CID 54117998) is trideca-2,4,6,8-tetraene.
What is the SMILES notation for trideca-2,4,6,8-tetraene?
The canonical SMILES for trideca-2,4,6,8-tetraene is CC=CC=CC=CC=CCCCC.
What is the InChIKey of trideca-2,4,6,8-tetraene?
The InChIKey is FDDDBJAGIWCVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9-13H,4,6,8H2,1-2H3.
What are the key properties of trideca-2,4,6,8-tetraene?
trideca-2,4,6,8-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-2,4,6,8-tetraene is sourced from PubChem (CID 54117998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).