(5E,7E)-tetradeca-5,7-dienenitrile

C14H23N — CID 11989535

IUPAC(5E,7E)-tetradeca-5,7-dienenitrile
SMILESCCCCCC/C=C/C=C/CCCC#N
InChIInChI=1S/C14H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-10H,2-6,11-13H2,1H3/b8-7+,10-9+
InChIKeyVKZNARPRFQCSHL-XBLVEGMJSA-N
MW205.34 g/mol
LogP4.76
Rot. Bonds9

About (5E,7E)-tetradeca-5,7-dienenitrile

(5E,7E)-tetradeca-5,7-dienenitrile (PubChem CID 11989535) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (5E,7E)-tetradeca-5,7-dienenitrile.

Molecular Properties

Compound Name(5E,7E)-tetradeca-5,7-dienenitrile
PubChem CID11989535
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(5E,7E)-tetradeca-5,7-dienenitrile
SMILESCCCCCC/C=C/C=C/CCCC#N
InChIInChI=1S/C14H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-10H,2-6,11-13H2,1H3/b8-7+,10-9+
InChIKeyVKZNARPRFQCSHL-XBLVEGMJSA-N
XLogP4.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
octadec-6-enenitrile
CID 54098739
(22E)-heptatetraconta-22,24-diene
CID 56629131
(E)-dec-4-enenitrile
CID 88850530
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(3E,5E,7E)-trideca-3,5,7-trienenitrile
CID 101282404
(E)-dodec-8-enenitrile
CID 101282237
(2E,4Z,6Z)-octadeca-2,4,6-trienenitrile
CID 21158547
(6E)-octadeca-4,6-diene
CID 173243345
octadecanenitrile
CID 12532
undecanenitrile
CID 16722

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-tetradeca-5,7-dienenitrile?
The IUPAC name of (5E,7E)-tetradeca-5,7-dienenitrile (CID 11989535) is (5E,7E)-tetradeca-5,7-dienenitrile.
What is the SMILES notation for (5E,7E)-tetradeca-5,7-dienenitrile?
The canonical SMILES for (5E,7E)-tetradeca-5,7-dienenitrile is CCCCCC/C=C/C=C/CCCC#N.
What is the InChIKey of (5E,7E)-tetradeca-5,7-dienenitrile?
The InChIKey is VKZNARPRFQCSHL-XBLVEGMJSA-N. The full InChI is InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-10H,2-6,11-13H2,1H3/b8-7+,10-9+.
What are the key properties of (5E,7E)-tetradeca-5,7-dienenitrile?
(5E,7E)-tetradeca-5,7-dienenitrile has a molecular weight of 205.34 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-tetradeca-5,7-dienenitrile is sourced from PubChem (CID 11989535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).