4-[(E)-dec-5-en-5-yl]benzonitrile

C17H23N — CID 102307361

IUPAC4-[(E)-dec-5-en-5-yl]benzonitrile
SMILESCCCC/C=C(\CCCC)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N/c1-3-5-7-9-16(8-6-4-2)17-12-10-15(14-18)11-13-17/h9-13H,3-8H2,1-2H3/b16-9+
InChIKeySDOYIWXLBXUPFT-CXUHLZMHSA-N
MW241.38 g/mol
LogP5.32
Rot. Bonds7

About 4-[(E)-dec-5-en-5-yl]benzonitrile

4-[(E)-dec-5-en-5-yl]benzonitrile (PubChem CID 102307361) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[(E)-dec-5-en-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-dec-5-en-5-yl]benzonitrile
PubChem CID102307361
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name4-[(E)-dec-5-en-5-yl]benzonitrile
SMILESCCCC/C=C(\CCCC)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N/c1-3-5-7-9-16(8-6-4-2)17-12-10-15(14-18)11-13-17/h9-13H,3-8H2,1-2H3/b16-9+
InChIKeySDOYIWXLBXUPFT-CXUHLZMHSA-N
XLogP5.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
ethyl 4-[(E)-dec-5-en-5-yl]benzoate
CID 102307363
N-(4-cyanophenyl)pentanamide
CID 2162994
4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile
CID 101125780
4-[(E)-1-hydroxyhept-2-enyl]benzonitrile
CID 10921890
4-oct-1-en-3-yn-2-ylbenzonitrile
CID 171726824
ethane;4-methylbenzonitrile;4-methylideneoctane
CID 142349797
pentyl 4-cyanobenzoate
CID 531615
1-[(E)-1-bromoundec-3-en-4-yl]-4-methylbenzene
CID 134995574
1-[(E)-dec-5-en-5-yl]naphthalene
CID 14452097
4-cyano-N-decylbenzamide
CID 14179073
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-dec-5-en-5-yl]benzonitrile?
The IUPAC name of 4-[(E)-dec-5-en-5-yl]benzonitrile (CID 102307361) is 4-[(E)-dec-5-en-5-yl]benzonitrile.
What is the SMILES notation for 4-[(E)-dec-5-en-5-yl]benzonitrile?
The canonical SMILES for 4-[(E)-dec-5-en-5-yl]benzonitrile is CCCC/C=C(\CCCC)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(E)-dec-5-en-5-yl]benzonitrile?
The InChIKey is SDOYIWXLBXUPFT-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H23N/c1-3-5-7-9-16(8-6-4-2)17-12-10-15(14-18)11-13-17/h9-13H,3-8H2,1-2H3/b16-9+.
What are the key properties of 4-[(E)-dec-5-en-5-yl]benzonitrile?
4-[(E)-dec-5-en-5-yl]benzonitrile has a molecular weight of 241.38 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-dec-5-en-5-yl]benzonitrile is sourced from PubChem (CID 102307361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).