tetradeca-4,13-dienenitrile

C14H23N — CID 76548823

IUPACtetradeca-4,13-dienenitrile
SMILESC=CCCCCCCCC=CCCC#N
InChIInChI=1S/C14H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,10-11H,1,3-9,12-13H2
InChIKeyQPUPIXXGIWBIRM-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.76
Rot. Bonds10

About tetradeca-4,13-dienenitrile

tetradeca-4,13-dienenitrile (PubChem CID 76548823) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is tetradeca-4,13-dienenitrile.

Molecular Properties

Compound Nametetradeca-4,13-dienenitrile
PubChem CID76548823
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nametetradeca-4,13-dienenitrile
SMILESC=CCCCCCCCC=CCCC#N
InChIInChI=1S/C14H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,10-11H,1,3-9,12-13H2
InChIKeyQPUPIXXGIWBIRM-UHFFFAOYSA-N
XLogP4.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.76
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

oct-7-enenitrile
CID 10909562
(3Z)-trideca-3,12-dienenitrile
CID 57495068
(4E,10E)-trideca-4,10,12-trienenitrile
CID 101282439
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912
(7E,10E)-tetradeca-7,10,13-trienenitrile
CID 101282574
trideca-4,10-dienenitrile
CID 131746236
(E)-dec-4-enenitrile
CID 88850530
(3E,9E)-tetradeca-3,9,13-trienenitrile
CID 101282520
(E)-(111C)non-4-enenitrile
CID 10103223
prop-2-enoic acid;undec-10-enenitrile
CID 118123784
dodeca-1,6,11-triene
CID 548864

Frequently Asked Questions

What is the IUPAC name of tetradeca-4,13-dienenitrile?
The IUPAC name of tetradeca-4,13-dienenitrile (CID 76548823) is tetradeca-4,13-dienenitrile.
What is the SMILES notation for tetradeca-4,13-dienenitrile?
The canonical SMILES for tetradeca-4,13-dienenitrile is C=CCCCCCCCC=CCCC#N.
What is the InChIKey of tetradeca-4,13-dienenitrile?
The InChIKey is QPUPIXXGIWBIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,10-11H,1,3-9,12-13H2.
What are the key properties of tetradeca-4,13-dienenitrile?
tetradeca-4,13-dienenitrile has a molecular weight of 205.34 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-4,13-dienenitrile is sourced from PubChem (CID 76548823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).