1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane

C21H40 — CID 18597169

IUPAC1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
SMILESCCCCC1CCC(C2CCC(C)(CCCC)CC2)CC1
InChIInChI=1S/C21H40/c1-4-6-8-18-9-11-19(12-10-18)20-13-16-21(3,17-14-20)15-7-5-2/h18-20H,4-17H2,1-3H3
InChIKeyWOZMDLDIKLLKOD-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.37
Rot. Bonds7

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

1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane (PubChem CID 18597169) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane.

Molecular Properties

Compound Name1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
PubChem CID18597169
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
SMILESCCCCC1CCC(C2CCC(C)(CCCC)CC2)CC1
InChIInChI=1S/C21H40/c1-4-6-8-18-9-11-19(12-10-18)20-13-16-21(3,17-14-20)15-7-5-2/h18-20H,4-17H2,1-3H3
InChIKeyWOZMDLDIKLLKOD-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633672
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-butyl-4-(4-heptylcyclohexyl)-1-(trifluoromethyl)cyclohexane
CID 18597230
4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
CID 19819404
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
(4-butyl-1-methylcyclohexyl)methanol
CID 66025172

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane?
The IUPAC name of 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane (CID 18597169) is 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane.
What is the SMILES notation for 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane?
The canonical SMILES for 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane is CCCCC1CCC(C2CCC(C)(CCCC)CC2)CC1.
What is the InChIKey of 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane?
The InChIKey is WOZMDLDIKLLKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-4-6-8-18-9-11-19(12-10-18)20-13-16-21(3,17-14-20)15-7-5-2/h18-20H,4-17H2,1-3H3.
What are the key properties of 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane?
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane has a molecular weight of 292.55 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane is sourced from PubChem (CID 18597169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).