4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane

C23H44 — CID 18597187

IUPAC4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
SMILESCCCCCCC1(C)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C23H44/c1-4-6-8-9-17-23(3)18-15-22(16-19-23)21-13-11-20(12-14-21)10-7-5-2/h20-22H,4-19H2,1-3H3
InChIKeyHDPRBQAKXCYAGP-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.15
Rot. Bonds9

About 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane

4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane (PubChem CID 18597187) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
PubChem CID18597187
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
SMILESCCCCCCC1(C)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C23H44/c1-4-6-8-9-17-23(3)18-15-22(16-19-23)21-13-11-20(12-14-21)10-7-5-2/h20-22H,4-19H2,1-3H3
InChIKeyHDPRBQAKXCYAGP-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.15
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

4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
CID 19819404
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
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-nonyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
CID 18596905
2-(4-hexylcyclohexyl)-5-methyl-5-pentyl-1,3-dithiane
CID 18611733

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane?
The IUPAC name of 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane (CID 18597187) is 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane is CCCCCCC1(C)CCC(C2CCC(CCCC)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane?
The InChIKey is HDPRBQAKXCYAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-4-6-8-9-17-23(3)18-15-22(16-19-23)21-13-11-20(12-14-21)10-7-5-2/h20-22H,4-19H2,1-3H3.
What are the key properties of 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane?
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane has a molecular weight of 320.61 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane is sourced from PubChem (CID 18597187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).