1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene

C23H37Cl — CID 57060475

IUPAC1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene
SMILESCCCCCc1ccc(CCC2(CCCCCl)CCCCC2)cc1
InChIInChI=1S/C23H37Cl/c1-2-3-5-10-21-11-13-22(14-12-21)15-19-23(18-8-9-20-24)16-6-4-7-17-23/h11-14H,2-10,15-20H2,1H3
InChIKeyKDPTUPLCQGINEN-UHFFFAOYSA-N
MW349.00 g/mol
LogP7.71
Rot. Bonds11

About 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene

1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene (PubChem CID 57060475) has the molecular formula C23H37Cl and a molecular weight of 349.00 g/mol. Its IUPAC name is 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene.

Molecular Properties

Compound Name1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene
PubChem CID57060475
Molecular FormulaC23H37Cl
Molecular Weight349.00 g/mol
Exact Mass348.26
IUPAC Name1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene
SMILESCCCCCc1ccc(CCC2(CCCCCl)CCCCC2)cc1
InChIInChI=1S/C23H37Cl/c1-2-3-5-10-21-11-13-22(14-12-21)15-19-23(18-8-9-20-24)16-6-4-7-17-23/h11-14H,2-10,15-20H2,1H3
InChIKeyKDPTUPLCQGINEN-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.00
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dipentylcyclononane
CID 169026027
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
2-[1-(4-octylphenyl)cyclohexyl]-3-(1-pentylcyclohexyl)propanenitrile
CID 57149111
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003
1-[2-[4-(6-chlorohexyl)cyclohexyl]ethyl]-4-[2-(1-hexylcyclohexyl)ethyl]cyclohexane
CID 139720007
1-ethyl-4-[1-[4-(1-heptylcyclohexyl)butyl]cyclohexyl]benzene
CID 173363076
2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene
CID 57087984
2-[2-methyl-4-[2-(1-nonylcyclohexyl)ethyl]phenyl]-5-octoxypyrimidine
CID 57125806
1-ethynyl-4-[2-(1-propylcyclohexyl)ethyl]benzene
CID 57126613

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene?
The IUPAC name of 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene (CID 57060475) is 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene.
What is the SMILES notation for 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene?
The canonical SMILES for 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene is CCCCCc1ccc(CCC2(CCCCCl)CCCCC2)cc1.
What is the InChIKey of 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene?
The InChIKey is KDPTUPLCQGINEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37Cl/c1-2-3-5-10-21-11-13-22(14-12-21)15-19-23(18-8-9-20-24)16-6-4-7-17-23/h11-14H,2-10,15-20H2,1H3.
What are the key properties of 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene?
1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene has a molecular weight of 349.00 g/mol, XLogP of 7.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene is sourced from PubChem (CID 57060475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).