(2E,5E,11E)-tetradeca-2,5,11-trienenitrile

C14H21N — CID 101282472

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

About (2E,5E,11E)-tetradeca-2,5,11-trienenitrile

(2E,5E,11E)-tetradeca-2,5,11-trienenitrile (PubChem CID 101282472) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2E,5E,11E)-tetradeca-2,5,11-trienenitrile.

Molecular Properties

Compound Name(2E,5E,11E)-tetradeca-2,5,11-trienenitrile
PubChem CID101282472
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2E,5E,11E)-tetradeca-2,5,11-trienenitrile
SMILESCC/C=C/CCCC/C=C/C/C=C/C#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,9-10,12-13H,2,5-8,11H2,1H3/b4-3+,10-9+,13-12+
InChIKeyIYIWYSZFAWDOAT-ZRXPTQEJSA-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'}

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Related Compounds

(2E,8Z)-undeca-2,8-dienenitrile
CID 129206614
(2E,11E)-tetradeca-2,11-dienenitrile
CID 129206569
(2E,12E)-pentadeca-2,12-dienenitrile
CID 129206636
(2E,9E)-dodeca-2,9-dienenitrile
CID 129206615
(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648
heptadeca-3,6,12-triene
CID 54220025
dodeca-2,6-dienenitrile
CID 140790991
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
henicosa-3,6-diene
CID 72727393
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(2E,6E)-trideca-2,6-dienenitrile
CID 129206622

Frequently Asked Questions

What is the IUPAC name of (2E,5E,11E)-tetradeca-2,5,11-trienenitrile?
The IUPAC name of (2E,5E,11E)-tetradeca-2,5,11-trienenitrile (CID 101282472) is (2E,5E,11E)-tetradeca-2,5,11-trienenitrile.
What is the SMILES notation for (2E,5E,11E)-tetradeca-2,5,11-trienenitrile?
The canonical SMILES for (2E,5E,11E)-tetradeca-2,5,11-trienenitrile is CC/C=C/CCCC/C=C/C/C=C/C#N.
What is the InChIKey of (2E,5E,11E)-tetradeca-2,5,11-trienenitrile?
The InChIKey is IYIWYSZFAWDOAT-ZRXPTQEJSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,9-10,12-13H,2,5-8,11H2,1H3/b4-3+,10-9+,13-12+.
What are the key properties of (2E,5E,11E)-tetradeca-2,5,11-trienenitrile?
(2E,5E,11E)-tetradeca-2,5,11-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 (2E,5E,11E)-tetradeca-2,5,11-trienenitrile is sourced from PubChem (CID 101282472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).