1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene

C26H42 — CID 139724446

IUPAC1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCCCCCC1CCC(CC2CCC(c3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C26H42/c1-3-5-6-7-22-8-10-23(11-9-22)20-24-14-18-26(19-15-24)25-16-12-21(4-2)13-17-25/h12-13,16-17,22-24,26H,3-11,14-15,18-20H2,1-2H3
InChIKeyKEZJJHFQJISDHF-UHFFFAOYSA-N
MW354.62 g/mol
LogP8.30
Rot. Bonds8

About 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene

1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene (PubChem CID 139724446) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
PubChem CID139724446
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCCCCCC1CCC(CC2CCC(c3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C26H42/c1-3-5-6-7-22-8-10-23(11-9-22)20-24-14-18-26(19-15-24)25-16-12-21(4-2)13-17-25/h12-13,16-17,22-24,26H,3-11,14-15,18-20H2,1-2H3
InChIKeyKEZJJHFQJISDHF-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
2-(4-ethylphenyl)-6-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837443
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene (CID 139724446) is 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene is CCCCCC1CCC(CC2CCC(c3ccc(CC)cc3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene?
The InChIKey is KEZJJHFQJISDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-3-5-6-7-22-8-10-23(11-9-22)20-24-14-18-26(19-15-24)25-16-12-21(4-2)13-17-25/h12-13,16-17,22-24,26H,3-11,14-15,18-20H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene?
1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene has a molecular weight of 354.62 g/mol, XLogP of 8.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene is sourced from PubChem (CID 139724446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).