1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene

C26H42 — CID 173321823

IUPAC1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
SMILESCCCCCc1ccc(C/C=C\CC2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C26H42/c1-3-5-7-11-23-15-19-25(20-16-23)13-9-10-14-26-21-17-24(18-22-26)12-8-6-4-2/h9-10,15-16,19-20,24,26H,3-8,11-14,17-18,21-22H2,1-2H3/b10-9-
InChIKeyGNVNJCLQDAKZGO-KTKRTIGZSA-N
MW354.62 g/mol
LogP8.29
Rot. Bonds12

About 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene

1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene (PubChem CID 173321823) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene.

Molecular Properties

Compound Name1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
PubChem CID173321823
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
SMILESCCCCCc1ccc(C/C=C\CC2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C26H42/c1-3-5-7-11-23-15-19-25(20-16-23)13-9-10-14-26-21-17-24(18-22-26)12-8-6-4-2/h9-10,15-16,19-20,24,26H,3-8,11-14,17-18,21-22H2,1-2H3/b10-9-
InChIKeyGNVNJCLQDAKZGO-KTKRTIGZSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1,2-difluoro-4-[(Z)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 67680833
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 54497381
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
CID 18965918
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene?
The IUPAC name of 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene (CID 173321823) is 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene.
What is the SMILES notation for 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene?
The canonical SMILES for 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene is CCCCCc1ccc(C/C=C\CC2CCC(CCCCC)CC2)cc1.
What is the InChIKey of 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene?
The InChIKey is GNVNJCLQDAKZGO-KTKRTIGZSA-N. The full InChI is InChI=1S/C26H42/c1-3-5-7-11-23-15-19-25(20-16-23)13-9-10-14-26-21-17-24(18-22-26)12-8-6-4-2/h9-10,15-16,19-20,24,26H,3-8,11-14,17-18,21-22H2,1-2H3/b10-9-.
What are the key properties of 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene?
1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene has a molecular weight of 354.62 g/mol, XLogP of 8.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene is sourced from PubChem (CID 173321823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).