(5E,7E,9E)-tetradeca-5,7,9-trienenitrile

C14H21N — CID 101282545

IUPAC(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
SMILESCCCC/C=C/C=C/C=C/CCCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-10H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+
InChIKeyDJIZCBRVGQILLW-SUTYWZMXSA-N
MW203.33 g/mol
LogP4.54
Rot. Bonds8

About (5E,7E,9E)-tetradeca-5,7,9-trienenitrile

(5E,7E,9E)-tetradeca-5,7,9-trienenitrile (PubChem CID 101282545) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (5E,7E,9E)-tetradeca-5,7,9-trienenitrile.

Molecular Properties

Compound Name(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
PubChem CID101282545
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
SMILESCCCC/C=C/C=C/C=C/CCCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-10H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+
InChIKeyDJIZCBRVGQILLW-SUTYWZMXSA-N
XLogP4.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
(E)-(111C)non-4-enenitrile
CID 10103223
(3E,5E,7E)-trideca-3,5,7-trienenitrile
CID 101282404
octadec-6-enenitrile
CID 54098739
octa-5,7-dienenitrile
CID 71403851
(E)-dec-4-enenitrile
CID 88850530
(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
CID 101282527
(2E,4E,9E)-tetradeca-2,4,9-trienenitrile
CID 101282463
trideca-2,4,6,8-tetraene
CID 54117998
(E)-dodec-8-enenitrile
CID 101282237
(2E,4Z,6Z)-octadeca-2,4,6-trienenitrile
CID 21158547
(8E,10E)-12-oxododeca-8,10-dienenitrile
CID 87790760

Frequently Asked Questions

What is the IUPAC name of (5E,7E,9E)-tetradeca-5,7,9-trienenitrile?
The IUPAC name of (5E,7E,9E)-tetradeca-5,7,9-trienenitrile (CID 101282545) is (5E,7E,9E)-tetradeca-5,7,9-trienenitrile.
What is the SMILES notation for (5E,7E,9E)-tetradeca-5,7,9-trienenitrile?
The canonical SMILES for (5E,7E,9E)-tetradeca-5,7,9-trienenitrile is CCCC/C=C/C=C/C=C/CCCC#N.
What is the InChIKey of (5E,7E,9E)-tetradeca-5,7,9-trienenitrile?
The InChIKey is DJIZCBRVGQILLW-SUTYWZMXSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-10H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+.
What are the key properties of (5E,7E,9E)-tetradeca-5,7,9-trienenitrile?
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile has a molecular weight of 203.33 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9E)-tetradeca-5,7,9-trienenitrile is sourced from PubChem (CID 101282545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).