1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile

C23H39N — CID 67922493

IUPAC1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCC/C=C\CC1(C#N)CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C23H39N/c1-3-5-7-9-20-10-12-21(13-11-20)22-14-17-23(19-24,18-15-22)16-8-6-4-2/h6,8,20-22H,3-5,7,9-18H2,1-2H3/b8-6-
InChIKeyJXSDUKMPFGBSLY-VURMDHGXSA-N
MW329.57 g/mol
LogP7.43
Rot. Bonds8

About 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile

1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile (PubChem CID 67922493) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
PubChem CID67922493
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCC/C=C\CC1(C#N)CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C23H39N/c1-3-5-7-9-20-10-12-21(13-11-20)22-14-17-23(19-24,18-15-22)16-8-6-4-2/h6,8,20-22H,3-5,7,9-18H2,1-2H3/b8-6-
InChIKeyJXSDUKMPFGBSLY-VURMDHGXSA-N
XLogP7.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.43
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

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
4-(4-heptylcyclohexyl)-1-pent-3-enylcyclohexane-1-carbonitrile
CID 54137832
1-(3-hydroxypropyl)-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 14093568
1-[(E)-hex-3-enyl]-4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 67922584
4-(4-butylcyclohexyl)-1-[(Z)-hept-3-enyl]cyclohexane-1-carbonitrile
CID 67922597
1-methyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596899
(2S,4aR,6S,8aR)-2-butyl-6-(4-hexylcyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603421
6-(4-hexylcyclohexyl)-2-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 23311799
4-(4-ethylcyclohexyl)-1-octylcyclohexane-1-carbonitrile
CID 18596908
4-butyl-1-[2-(4-heptylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596716

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile (CID 67922493) is 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile is CC/C=C\CC1(C#N)CCC(C2CCC(CCCCC)CC2)CC1.
What is the InChIKey of 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile?
The InChIKey is JXSDUKMPFGBSLY-VURMDHGXSA-N. The full InChI is InChI=1S/C23H39N/c1-3-5-7-9-20-10-12-21(13-11-20)22-14-17-23(19-24,18-15-22)16-8-6-4-2/h6,8,20-22H,3-5,7,9-18H2,1-2H3/b8-6-.
What are the key properties of 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile?
1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile has a molecular weight of 329.57 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 67922493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).