(5E,10E)-trideca-5,10,12-trienenitrile

C13H19N — CID 101282449

IUPAC(5E,10E)-trideca-5,10,12-trienenitrile
SMILESC=C/C=C/CCC/C=C/CCCC#N
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,8-9H,1,5-7,10-12H2/b4-3+,9-8+
InChIKeyBGYOJLXLYJHFOK-DDJGDYJSSA-N
MW189.30 g/mol
LogP4.15
Rot. Bonds8

About (5E,10E)-trideca-5,10,12-trienenitrile

(5E,10E)-trideca-5,10,12-trienenitrile (PubChem CID 101282449) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (5E,10E)-trideca-5,10,12-trienenitrile.

Molecular Properties

Compound Name(5E,10E)-trideca-5,10,12-trienenitrile
PubChem CID101282449
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(5E,10E)-trideca-5,10,12-trienenitrile
SMILESC=C/C=C/CCC/C=C/CCCC#N
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,8-9H,1,5-7,10-12H2/b4-3+,9-8+
InChIKeyBGYOJLXLYJHFOK-DDJGDYJSSA-N
XLogP4.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

octa-5,7-dienenitrile
CID 71403851
(4E,10E)-trideca-4,10,12-trienenitrile
CID 101282439
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
CID 101282527
(E)-6-iodohex-5-enenitrile
CID 10966062
(7E,10E)-tetradeca-7,10,13-trienenitrile
CID 101282574
hexadeca-1,3,8-triene
CID 174048674
tetradeca-4,13-dienenitrile
CID 76548823
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428
11,11-dimethyldodeca-7,9-dienenitrile
CID 142114722
pentadeca-1,3,12-triene
CID 174048351

Frequently Asked Questions

What is the IUPAC name of (5E,10E)-trideca-5,10,12-trienenitrile?
The IUPAC name of (5E,10E)-trideca-5,10,12-trienenitrile (CID 101282449) is (5E,10E)-trideca-5,10,12-trienenitrile.
What is the SMILES notation for (5E,10E)-trideca-5,10,12-trienenitrile?
The canonical SMILES for (5E,10E)-trideca-5,10,12-trienenitrile is C=C/C=C/CCC/C=C/CCCC#N.
What is the InChIKey of (5E,10E)-trideca-5,10,12-trienenitrile?
The InChIKey is BGYOJLXLYJHFOK-DDJGDYJSSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,8-9H,1,5-7,10-12H2/b4-3+,9-8+.
What are the key properties of (5E,10E)-trideca-5,10,12-trienenitrile?
(5E,10E)-trideca-5,10,12-trienenitrile has a molecular weight of 189.30 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,10E)-trideca-5,10,12-trienenitrile is sourced from PubChem (CID 101282449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).