(3E,5E,8E)-tetradeca-3,5,8-trienenitrile

C14H21N — CID 101282497

IUPAC(3E,5E,8E)-tetradeca-3,5,8-trienenitrile
SMILESCCCCC/C=C/C/C=C/C=C/CC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-12H,2-5,8,13H2,1H3/b7-6+,10-9+,12-11+
InChIKeyLDTGGJALAOWARK-NRSJTBBXSA-N
MW203.33 g/mol
LogP4.54
Rot. Bonds8

About (3E,5E,8E)-tetradeca-3,5,8-trienenitrile

(3E,5E,8E)-tetradeca-3,5,8-trienenitrile (PubChem CID 101282497) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3E,5E,8E)-tetradeca-3,5,8-trienenitrile.

Molecular Properties

Compound Name(3E,5E,8E)-tetradeca-3,5,8-trienenitrile
PubChem CID101282497
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3E,5E,8E)-tetradeca-3,5,8-trienenitrile
SMILESCCCCC/C=C/C/C=C/C=C/CC#N
InChIInChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-12H,2-5,8,13H2,1H3/b7-6+,10-9+,12-11+
InChIKeyLDTGGJALAOWARK-NRSJTBBXSA-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

(3E,5E,7E)-trideca-3,5,7-trienenitrile
CID 101282404
(3E,5E,8E)-dodeca-3,5,8-trienenitrile
CID 101282343
(Z)-pentadec-3-enenitrile
CID 139591512
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
(3E,6E,9E)-trideca-3,6,9-trienenitrile
CID 101282411
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(5E,8E)-tetradeca-5,8-diene
CID 13430684
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(3E,6E,10E)-tetradeca-3,6,10-trienenitrile
CID 101282505
(2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraen-1-ol
CID 14280305

Frequently Asked Questions

What is the IUPAC name of (3E,5E,8E)-tetradeca-3,5,8-trienenitrile?
The IUPAC name of (3E,5E,8E)-tetradeca-3,5,8-trienenitrile (CID 101282497) is (3E,5E,8E)-tetradeca-3,5,8-trienenitrile.
What is the SMILES notation for (3E,5E,8E)-tetradeca-3,5,8-trienenitrile?
The canonical SMILES for (3E,5E,8E)-tetradeca-3,5,8-trienenitrile is CCCCC/C=C/C/C=C/C=C/CC#N.
What is the InChIKey of (3E,5E,8E)-tetradeca-3,5,8-trienenitrile?
The InChIKey is LDTGGJALAOWARK-NRSJTBBXSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-12H,2-5,8,13H2,1H3/b7-6+,10-9+,12-11+.
What are the key properties of (3E,5E,8E)-tetradeca-3,5,8-trienenitrile?
(3E,5E,8E)-tetradeca-3,5,8-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 (3E,5E,8E)-tetradeca-3,5,8-trienenitrile is sourced from PubChem (CID 101282497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).