(4Z)-trideca-1,4,6,8-tetraene

C13H20 — CID 59905283

IUPAC(4Z)-trideca-1,4,6,8-tetraene
SMILESC=CC/C=C\C=CC=CCCCC
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,7,9-13H,1,4-6,8H2,2H3/b9-7-,12-10?,13-11?
InChIKeyQATMMCZSTBDIFH-GSCPGEBASA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds7

About (4Z)-trideca-1,4,6,8-tetraene

(4Z)-trideca-1,4,6,8-tetraene (PubChem CID 59905283) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (4Z)-trideca-1,4,6,8-tetraene.

Molecular Properties

Compound Name(4Z)-trideca-1,4,6,8-tetraene
PubChem CID59905283
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(4Z)-trideca-1,4,6,8-tetraene
SMILESC=CC/C=C\C=CC=CCCCC
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,7,9-13H,1,4-6,8H2,2H3/b9-7-,12-10?,13-11?
InChIKeyQATMMCZSTBDIFH-GSCPGEBASA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tetradeca-1,4,6-triene
CID 174048062
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(4Z)-dodeca-1,4-diene
CID 12525542
pentadeca-1,4,9-triene
CID 174048539
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
trideca-2,4,6,8-tetraene
CID 54117998
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
pentadeca-1,4,8-triene
CID 174048494

Frequently Asked Questions

What is the IUPAC name of (4Z)-trideca-1,4,6,8-tetraene?
The IUPAC name of (4Z)-trideca-1,4,6,8-tetraene (CID 59905283) is (4Z)-trideca-1,4,6,8-tetraene.
What is the SMILES notation for (4Z)-trideca-1,4,6,8-tetraene?
The canonical SMILES for (4Z)-trideca-1,4,6,8-tetraene is C=CC/C=C\C=CC=CCCCC.
What is the InChIKey of (4Z)-trideca-1,4,6,8-tetraene?
The InChIKey is QATMMCZSTBDIFH-GSCPGEBASA-N. The full InChI is InChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,7,9-13H,1,4-6,8H2,2H3/b9-7-,12-10?,13-11?.
What are the key properties of (4Z)-trideca-1,4,6,8-tetraene?
(4Z)-trideca-1,4,6,8-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-trideca-1,4,6,8-tetraene is sourced from PubChem (CID 59905283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).