4-(4-butylcyclohexen-1-yl)benzonitrile

C17H21N — CID 575809

IUPAC4-(4-butylcyclohexen-1-yl)benzonitrile
SMILESCCCCC1CC=C(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H21N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-9,11-12,14H,2-6,10H2,1H3
InChIKeyOGUCEYMBLPEMJZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.93
Rot. Bonds4

About 4-(4-butylcyclohexen-1-yl)benzonitrile

4-(4-butylcyclohexen-1-yl)benzonitrile (PubChem CID 575809) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(4-butylcyclohexen-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-butylcyclohexen-1-yl)benzonitrile
PubChem CID575809
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-(4-butylcyclohexen-1-yl)benzonitrile
SMILESCCCCC1CC=C(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H21N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-9,11-12,14H,2-6,10H2,1H3
InChIKeyOGUCEYMBLPEMJZ-UHFFFAOYSA-N
XLogP4.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-octylcyclohexen-1-yl)benzonitrile
CID 70571980
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
CID 20538143
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
1-bromo-4-[2-[4-(4-propylcyclohexen-1-yl)phenyl]ethynyl]benzene
CID 139673836
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538092

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexen-1-yl)benzonitrile?
The IUPAC name of 4-(4-butylcyclohexen-1-yl)benzonitrile (CID 575809) is 4-(4-butylcyclohexen-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-butylcyclohexen-1-yl)benzonitrile?
The canonical SMILES for 4-(4-butylcyclohexen-1-yl)benzonitrile is CCCCC1CC=C(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-(4-butylcyclohexen-1-yl)benzonitrile?
The InChIKey is OGUCEYMBLPEMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-9,11-12,14H,2-6,10H2,1H3.
What are the key properties of 4-(4-butylcyclohexen-1-yl)benzonitrile?
4-(4-butylcyclohexen-1-yl)benzonitrile has a molecular weight of 239.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexen-1-yl)benzonitrile is sourced from PubChem (CID 575809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).