(7E,10E)-tetradeca-7,10,13-trienenitrile

C14H21N — CID 101282574

IUPAC(7E,10E)-tetradeca-7,10,13-trienenitrile
SMILESC=CC/C=C/C/C=C/CCCCCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,4-5,7-8H,1,3,6,9-13H2/b5-4+,8-7+
InChIKeyZIZIETCBQYEXMV-AOSYACOCSA-N
MW203.33 g/mol
LogP4.54
Rot. Bonds9

About (7E,10E)-tetradeca-7,10,13-trienenitrile

(7E,10E)-tetradeca-7,10,13-trienenitrile (PubChem CID 101282574) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (7E,10E)-tetradeca-7,10,13-trienenitrile.

Molecular Properties

Compound Name(7E,10E)-tetradeca-7,10,13-trienenitrile
PubChem CID101282574
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(7E,10E)-tetradeca-7,10,13-trienenitrile
SMILESC=CC/C=C/C/C=C/CCCCCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,4-5,7-8H,1,3,6,9-13H2/b5-4+,8-7+
InChIKeyZIZIETCBQYEXMV-AOSYACOCSA-N
XLogP4.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.54
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'}

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Related Compounds

oct-7-enenitrile
CID 10909562
(6E,9E,12E)-tetradeca-6,9,12-trienenitrile
CID 101282565
tetradeca-4,13-dienenitrile
CID 76548823
(E)-dodec-8-enenitrile
CID 101282237
octadec-6-enenitrile
CID 54098739
(E)-dec-7-enenitrile
CID 88850471
trideca-1,4,11-triene
CID 172759150
8-fluorooct-6-enenitrile
CID 150088766
(E)-tridec-11-enenitrile
CID 101282243
(4Z)-dodeca-1,4-diene
CID 12525542
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
(3Z)-trideca-3,12-dienenitrile
CID 57495068

Frequently Asked Questions

What is the IUPAC name of (7E,10E)-tetradeca-7,10,13-trienenitrile?
The IUPAC name of (7E,10E)-tetradeca-7,10,13-trienenitrile (CID 101282574) is (7E,10E)-tetradeca-7,10,13-trienenitrile.
What is the SMILES notation for (7E,10E)-tetradeca-7,10,13-trienenitrile?
The canonical SMILES for (7E,10E)-tetradeca-7,10,13-trienenitrile is C=CC/C=C/C/C=C/CCCCCC#N.
What is the InChIKey of (7E,10E)-tetradeca-7,10,13-trienenitrile?
The InChIKey is ZIZIETCBQYEXMV-AOSYACOCSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,4-5,7-8H,1,3,6,9-13H2/b5-4+,8-7+.
What are the key properties of (7E,10E)-tetradeca-7,10,13-trienenitrile?
(7E,10E)-tetradeca-7,10,13-trienenitrile has a molecular weight of 203.33 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,10E)-tetradeca-7,10,13-trienenitrile is sourced from PubChem (CID 101282574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).