(3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne

C13H12 — CID 5352707

IUPAC(3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne
SMILESC=C/C=C\C=C\C#CC#C/C=C/C
InChIInChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4+,7-5-,11-9+
InChIKeyASVIELUINMCNMW-GIDTTZPASA-N
MW168.24 g/mol
LogP2.87
Rot. Bonds2

About (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne

(3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne (PubChem CID 5352707) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne.

Molecular Properties

Compound Name(3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne
PubChem CID5352707
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name(3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne
SMILESC=C/C=C\C=C\C#CC#C/C=C/C
InChIInChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4+,7-5-,11-9+
InChIKeyASVIELUINMCNMW-GIDTTZPASA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-Pentadiene
CID 62204
1,3-Pentadiene, (3Z)-
CID 643785
2,4-Hexadiene
CID 11600
(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne
CID 5322029
1,3,5,11-Tridecatetraene-7,9-diyne, (E,E,E)-
CID 5352698
trans,trans-2,4-Hexadiene
CID 638071
(Z)-1,3-Tridecadiene-5,7,9,11-tetrayne
CID 5352699
1,11-Tridecadiene-3,5,7,9-tetrayne
CID 5322026
trans,trans-1,3,11-Tridecatriene-5,7,9-triyne
CID 5322028
(E,E,E)-2,4,6-Octatriene
CID 5368766
2,4-Hexadiene, (2E,4Z)-
CID 643786
Penta-1,3-diene
CID 15301

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne?
The IUPAC name of (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne (CID 5352707) is (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne.
What is the SMILES notation for (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne?
The canonical SMILES for (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne is C=C/C=C\C=C\C#CC#C/C=C/C.
What is the InChIKey of (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne?
The InChIKey is ASVIELUINMCNMW-GIDTTZPASA-N. The full InChI is InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4+,7-5-,11-9+.
What are the key properties of (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne?
(3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne has a molecular weight of 168.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne is sourced from PubChem (CID 5352707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).