(11E)-trideca-1,11-dien-3,5,7,9-tetrayne

C13H8 — CID 5322026

IUPAC(11E)-trideca-1,11-dien-3,5,7,9-tetrayne
SMILESC=CC#CC#CC#CC#C/C=C/C
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4+
InChIKeyKBEMPFYJJCTZIG-GQCTYLIASA-N
MW164.21 g/mol
LogP1.76
Rot. Bonds

About (11E)-trideca-1,11-dien-3,5,7,9-tetrayne

(11E)-trideca-1,11-dien-3,5,7,9-tetrayne (PubChem CID 5322026) has the molecular formula C13H8 and a molecular weight of 164.21 g/mol. Its IUPAC name is (11E)-trideca-1,11-dien-3,5,7,9-tetrayne.

Molecular Properties

Compound Name(11E)-trideca-1,11-dien-3,5,7,9-tetrayne
PubChem CID5322026
Molecular FormulaC13H8
Molecular Weight164.21 g/mol
Exact Mass164.06
IUPAC Name(11E)-trideca-1,11-dien-3,5,7,9-tetrayne
SMILESC=CC#CC#CC#CC#C/C=C/C
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4+
InChIKeyKBEMPFYJJCTZIG-GQCTYLIASA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11E)-trideca-1,11-dien-3,5,7,9-tetrayne?
The IUPAC name of (11E)-trideca-1,11-dien-3,5,7,9-tetrayne (CID 5322026) is (11E)-trideca-1,11-dien-3,5,7,9-tetrayne.
What is the SMILES notation for (11E)-trideca-1,11-dien-3,5,7,9-tetrayne?
The canonical SMILES for (11E)-trideca-1,11-dien-3,5,7,9-tetrayne is C=CC#CC#CC#CC#C/C=C/C.
What is the InChIKey of (11E)-trideca-1,11-dien-3,5,7,9-tetrayne?
The InChIKey is KBEMPFYJJCTZIG-GQCTYLIASA-N. The full InChI is InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4+.
What are the key properties of (11E)-trideca-1,11-dien-3,5,7,9-tetrayne?
(11E)-trideca-1,11-dien-3,5,7,9-tetrayne has a molecular weight of 164.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-trideca-1,11-dien-3,5,7,9-tetrayne is sourced from PubChem (CID 5322026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).