4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile

C24H41N — CID 67922597

IUPAC4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile
SMILESCCC/C=C\CCC1(C#N)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H41N/c1-3-5-7-8-9-17-24(20-25)18-15-23(16-19-24)22-13-11-21(12-14-22)10-6-4-2/h7-8,21-23H,3-6,9-19H2,1-2H3/b8-7-
InChIKeyDIHUTHWXVAFHRP-FPLPWBNLSA-N
MW343.60 g/mol
LogP7.82
Rot. Bonds9

About 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile

4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile (PubChem CID 67922597) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile
PubChem CID67922597
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile
SMILESCCC/C=C\CCC1(C#N)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H41N/c1-3-5-7-8-9-17-24(20-25)18-15-23(16-19-24)22-13-11-21(12-14-22)10-6-4-2/h7-8,21-23H,3-6,9-19H2,1-2H3/b8-7-
InChIKeyDIHUTHWXVAFHRP-FPLPWBNLSA-N
XLogP7.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-butylcyclohexyl)-1-[(Z)-hex-3-enyl]cyclohexane-1-carbonitrile
CID 67922580
4-(4-heptylcyclohexyl)-1-pent-3-enylcyclohexane-1-carbonitrile
CID 54137832
1-[(E)-hex-3-enyl]-4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 67922584
1-nonyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596905
4-(4-decylcyclohexyl)-1-heptylcyclohexane-1-carbonitrile
CID 18596832
1-(3-hydroxypropyl)-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 14093568
4-(4-methylcyclohexyl)-1-[2-(4-methylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 20693737
1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 67922493
4-butyl-1-[2-(4-heptylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596716
1-butyl-4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 18643185
4-[2-(4-butylcyclohexyl)ethyl]-1-hexylcyclohexane-1-carbonitrile
CID 18596849
(2S,4aR,6S,8aR)-6-(4-butylcyclohexyl)-2-hexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603447

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile (CID 67922597) is 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile is CCC/C=C\CCC1(C#N)CCC(C2CCC(CCCC)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile?
The InChIKey is DIHUTHWXVAFHRP-FPLPWBNLSA-N. The full InChI is InChI=1S/C24H41N/c1-3-5-7-8-9-17-24(20-25)18-15-23(16-19-24)22-13-11-21(12-14-22)10-6-4-2/h7-8,21-23H,3-6,9-19H2,1-2H3/b8-7-.
What are the key properties of 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile?
4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile has a molecular weight of 343.60 g/mol, XLogP of 7.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 67922597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).