(2E,4E,9E)-tetradeca-2,4,9-trienenitrile

C14H21N — CID 101282463

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

About (2E,4E,9E)-tetradeca-2,4,9-trienenitrile

(2E,4E,9E)-tetradeca-2,4,9-trienenitrile (PubChem CID 101282463) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2E,4E,9E)-tetradeca-2,4,9-trienenitrile.

Molecular Properties

Compound Name(2E,4E,9E)-tetradeca-2,4,9-trienenitrile
PubChem CID101282463
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2E,4E,9E)-tetradeca-2,4,9-trienenitrile
SMILESCCCC/C=C/CCC/C=C/C=C/C#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,10-13H,2-4,7-9H2,1H3/b6-5+,11-10+,13-12+
InChIKeyHXPTXPQJCKFLFP-ONVRLIGQSA-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': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z,6Z)-octadeca-2,4,6-trienenitrile
CID 21158547
(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648
dodeca-2,6-dienenitrile
CID 140790991
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
(2E,6E)-trideca-2,6-dienenitrile
CID 129206622
(E)-undec-2-enenitrile
CID 6538104
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002
(2E,4E)-7-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613532
(2E,4E)-7-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613180
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(4E,9Z)-tetradeca-4,9-diene
CID 152732976

Frequently Asked Questions

What is the IUPAC name of (2E,4E,9E)-tetradeca-2,4,9-trienenitrile?
The IUPAC name of (2E,4E,9E)-tetradeca-2,4,9-trienenitrile (CID 101282463) is (2E,4E,9E)-tetradeca-2,4,9-trienenitrile.
What is the SMILES notation for (2E,4E,9E)-tetradeca-2,4,9-trienenitrile?
The canonical SMILES for (2E,4E,9E)-tetradeca-2,4,9-trienenitrile is CCCC/C=C/CCC/C=C/C=C/C#N.
What is the InChIKey of (2E,4E,9E)-tetradeca-2,4,9-trienenitrile?
The InChIKey is HXPTXPQJCKFLFP-ONVRLIGQSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,10-13H,2-4,7-9H2,1H3/b6-5+,11-10+,13-12+.
What are the key properties of (2E,4E,9E)-tetradeca-2,4,9-trienenitrile?
(2E,4E,9E)-tetradeca-2,4,9-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 (2E,4E,9E)-tetradeca-2,4,9-trienenitrile is sourced from PubChem (CID 101282463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).