(6E,9E,12E)-tetradeca-6,9,12-trienenitrile

C14H21N — CID 101282565

IUPAC(6E,9E,12E)-tetradeca-6,9,12-trienenitrile
SMILESC/C=C/C/C=C/C/C=C/CCCCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,8-9H,4,7,10-13H2,1H3/b3-2+,6-5+,9-8+
InChIKeyHHUILCNLTSCZRZ-QMDLBSTFSA-N
MW203.33 g/mol
LogP4.54
Rot. Bonds8

About (6E,9E,12E)-tetradeca-6,9,12-trienenitrile

(6E,9E,12E)-tetradeca-6,9,12-trienenitrile (PubChem CID 101282565) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (6E,9E,12E)-tetradeca-6,9,12-trienenitrile.

Molecular Properties

Compound Name(6E,9E,12E)-tetradeca-6,9,12-trienenitrile
PubChem CID101282565
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(6E,9E,12E)-tetradeca-6,9,12-trienenitrile
SMILESC/C=C/C/C=C/C/C=C/CCCCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,8-9H,4,7,10-13H2,1H3/b3-2+,6-5+,9-8+
InChIKeyHHUILCNLTSCZRZ-QMDLBSTFSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-tridec-11-enenitrile
CID 101282243
(7E,10E)-tetradeca-7,10,13-trienenitrile
CID 101282574
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
(E)-dodec-8-enenitrile
CID 101282237
octadec-6-enenitrile
CID 54098739
(E)-dec-7-enenitrile
CID 88850471
8-fluorooct-6-enenitrile
CID 150088766
(2Z,5Z)-12-methyltrideca-2,5-diene
CID 171755800
(2E,5E)-deca-2,5-diene
CID 6429648
undeca-6,9-dien-1-ol
CID 54169368
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428
tetradeca-1,3,9,12-tetraene
CID 174407710

Frequently Asked Questions

What is the IUPAC name of (6E,9E,12E)-tetradeca-6,9,12-trienenitrile?
The IUPAC name of (6E,9E,12E)-tetradeca-6,9,12-trienenitrile (CID 101282565) is (6E,9E,12E)-tetradeca-6,9,12-trienenitrile.
What is the SMILES notation for (6E,9E,12E)-tetradeca-6,9,12-trienenitrile?
The canonical SMILES for (6E,9E,12E)-tetradeca-6,9,12-trienenitrile is C/C=C/C/C=C/C/C=C/CCCCC#N.
What is the InChIKey of (6E,9E,12E)-tetradeca-6,9,12-trienenitrile?
The InChIKey is HHUILCNLTSCZRZ-QMDLBSTFSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,8-9H,4,7,10-13H2,1H3/b3-2+,6-5+,9-8+.
What are the key properties of (6E,9E,12E)-tetradeca-6,9,12-trienenitrile?
(6E,9E,12E)-tetradeca-6,9,12-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 (6E,9E,12E)-tetradeca-6,9,12-trienenitrile is sourced from PubChem (CID 101282565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).