4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane

C22H42 — CID 18597195

IUPAC4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
SMILESCCCCCC1(C)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C22H42/c1-4-6-8-16-22(3)17-14-21(15-18-22)20-12-10-19(11-13-20)9-7-5-2/h19-21H,4-18H2,1-3H3
InChIKeyRFCCHMPDEYGGSA-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.76
Rot. Bonds8

About 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane

4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane (PubChem CID 18597195) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
PubChem CID18597195
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
SMILESCCCCCC1(C)CCC(C2CCC(CCCC)CC2)CC1
InChIInChI=1S/C22H42/c1-4-6-8-16-22(3)17-14-21(15-18-22)20-12-10-19(11-13-20)9-7-5-2/h19-21H,4-18H2,1-3H3
InChIKeyRFCCHMPDEYGGSA-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.76
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-hexyl-1-methylcyclohexane
CID 18597187
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
4-(4-butylcyclohexyl)-1-heptyl-1-(trifluoromethyl)cyclohexane
CID 19819404
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633672
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane
CID 18597105
4-(4-hexylcyclohexyl)-1-methoxy-1-pentylcyclohexane
CID 18597158

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane?
The IUPAC name of 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane (CID 18597195) is 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane is CCCCCC1(C)CCC(C2CCC(CCCC)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane?
The InChIKey is RFCCHMPDEYGGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-4-6-8-16-22(3)17-14-21(15-18-22)20-12-10-19(11-13-20)9-7-5-2/h19-21H,4-18H2,1-3H3.
What are the key properties of 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane?
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane has a molecular weight of 306.58 g/mol, XLogP of 7.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane is sourced from PubChem (CID 18597195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).