4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane

C24H46 — CID 18597121

IUPAC4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
SMILESCCCCCCC1(CC)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H46/c1-4-7-9-10-18-24(6-3)19-16-23(17-20-24)22-14-12-21(13-15-22)11-8-5-2/h21-23H,4-20H2,1-3H3
InChIKeyRTFUPDDTQLCOKB-UHFFFAOYSA-N
MW334.63 g/mol
LogP8.54
Rot. Bonds10

About 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane

4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane (PubChem CID 18597121) has the molecular formula C24H46 and a molecular weight of 334.63 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
PubChem CID18597121
Molecular FormulaC24H46
Molecular Weight334.63 g/mol
Exact Mass334.36
IUPAC Name4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
SMILESCCCCCCC1(CC)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H46/c1-4-7-9-10-18-24(6-3)19-16-23(17-20-24)22-14-12-21(13-15-22)11-8-5-2/h21-23H,4-20H2,1-3H3
InChIKeyRTFUPDDTQLCOKB-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 58.54
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-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
CID 19819404
1-(bromomethyl)-4-butyl-1-octylcyclohexane
CID 66047977
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
4-(4-hexylcyclohexyl)-1-methoxy-1-pentylcyclohexane
CID 18597158
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
1-nonyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596905

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane?
The IUPAC name of 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane (CID 18597121) is 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane is CCCCCCC1(CC)CCC(C2CCC(CCCC)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane?
The InChIKey is RTFUPDDTQLCOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46/c1-4-7-9-10-18-24(6-3)19-16-23(17-20-24)22-14-12-21(13-15-22)11-8-5-2/h21-23H,4-20H2,1-3H3.
What are the key properties of 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane?
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane has a molecular weight of 334.63 g/mol, XLogP of 8.54, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane is sourced from PubChem (CID 18597121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).