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

C20H33N — CID 67922655

IUPAC4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile
SMILESC/C=C\C1(C#N)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C20H33N/c1-3-5-6-17-7-9-18(10-8-17)19-11-14-20(16-21,13-4-2)15-12-19/h4,13,17-19H,3,5-12,14-15H2,1-2H3/b13-4-
InChIKeyYLSVNPOSYRRTQW-PQMHYQBVSA-N
MW287.49 g/mol
LogP6.26
Rot. Bonds5

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

4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile (PubChem CID 67922655) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile
PubChem CID67922655
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile
SMILESC/C=C\C1(C#N)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C20H33N/c1-3-5-6-17-7-9-18(10-8-17)19-11-14-20(16-21,13-4-2)15-12-19/h4,13,17-19H,3,5-12,14-15H2,1-2H3/b13-4-
InChIKeyYLSVNPOSYRRTQW-PQMHYQBVSA-N
XLogP6.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.26
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

1-methyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596899
4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile
CID 67922597
4-(4-heptylcyclohexyl)-1-pent-3-enylcyclohexane-1-carbonitrile
CID 54137832
4-(4-butylcyclohexyl)-1-[(Z)-hex-3-enyl]cyclohexane-1-carbonitrile
CID 67922580
1-nonyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596905
4-(4-decylcyclohexyl)-1-heptylcyclohexane-1-carbonitrile
CID 18596832
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethylcyclohexane-1-carbonitrile
CID 18643364
1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 67922493
3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633672
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 18643225
(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)-prop-1-enyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile (CID 67922655) is 4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile is C/C=C\C1(C#N)CCC(C2CCC(CCCC)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile?
The InChIKey is YLSVNPOSYRRTQW-PQMHYQBVSA-N. The full InChI is InChI=1S/C20H33N/c1-3-5-6-17-7-9-18(10-8-17)19-11-14-20(16-21,13-4-2)15-12-19/h4,13,17-19H,3,5-12,14-15H2,1-2H3/b13-4-.
What are the key properties of 4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile?
4-(4-butylcyclohexyl)-1-[(Z)-prop-1-enyl]cyclohexane-1-carbonitrile has a molecular weight of 287.49 g/mol, XLogP of 6.26, 5 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)-prop-1-enyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 67922655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).