(4E,6E,11E)-tetradeca-4,6,11-trienenitrile

C14H21N — CID 101282527

IUPAC(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
SMILESCC/C=C/CCC/C=C/C=C/CCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,8-11H,2,5-7,12-13H2,1H3/b4-3+,9-8+,11-10+
InChIKeyRVYFXXUOVDJBFX-RRNJVOJWSA-N
MW203.33 g/mol
LogP4.54
Rot. Bonds8

About (4E,6E,11E)-tetradeca-4,6,11-trienenitrile

(4E,6E,11E)-tetradeca-4,6,11-trienenitrile (PubChem CID 101282527) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (4E,6E,11E)-tetradeca-4,6,11-trienenitrile.

Molecular Properties

Compound Name(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
PubChem CID101282527
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
SMILESCC/C=C/CCC/C=C/C=C/CCC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,8-11H,2,5-7,12-13H2,1H3/b4-3+,9-8+,11-10+
InChIKeyRVYFXXUOVDJBFX-RRNJVOJWSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trideca-4,10-dienenitrile
CID 131746236
hept-4-enenitrile
CID 54322660
(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
CID 139556590
undeca-4,8-dienenitrile
CID 131746233
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428
(E)-dec-7-enenitrile
CID 88850471
(E)-(111C)non-4-enenitrile
CID 10103223
pentadeca-3,5,7,12-tetraene
CID 142697862
(E)-dec-4-enenitrile
CID 88850530
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
(4E,10E)-trideca-4,10,12-trienenitrile
CID 101282439
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080

Frequently Asked Questions

What is the IUPAC name of (4E,6E,11E)-tetradeca-4,6,11-trienenitrile?
The IUPAC name of (4E,6E,11E)-tetradeca-4,6,11-trienenitrile (CID 101282527) is (4E,6E,11E)-tetradeca-4,6,11-trienenitrile.
What is the SMILES notation for (4E,6E,11E)-tetradeca-4,6,11-trienenitrile?
The canonical SMILES for (4E,6E,11E)-tetradeca-4,6,11-trienenitrile is CC/C=C/CCC/C=C/C=C/CCC#N.
What is the InChIKey of (4E,6E,11E)-tetradeca-4,6,11-trienenitrile?
The InChIKey is RVYFXXUOVDJBFX-RRNJVOJWSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,8-11H,2,5-7,12-13H2,1H3/b4-3+,9-8+,11-10+.
What are the key properties of (4E,6E,11E)-tetradeca-4,6,11-trienenitrile?
(4E,6E,11E)-tetradeca-4,6,11-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 (4E,6E,11E)-tetradeca-4,6,11-trienenitrile is sourced from PubChem (CID 101282527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).