1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane

C21H38 — CID 146793992

IUPAC1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
SMILESCCCCC1CCC(C2CCC(C3CCCC3)CC2)CC1
InChIInChI=1S/C21H38/c1-2-3-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-5-8-18/h17-21H,2-16H2,1H3
InChIKeyRWJVJCGSSXVZLI-UHFFFAOYSA-N
MW290.54 g/mol
LogP6.98
Rot. Bonds5

About 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane

1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane (PubChem CID 146793992) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
PubChem CID146793992
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
SMILESCCCCC1CCC(C2CCC(C3CCCC3)CC2)CC1
InChIInChI=1S/C21H38/c1-2-3-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-5-8-18/h17-21H,2-16H2,1H3
InChIKeyRWJVJCGSSXVZLI-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-4-nonylcyclohexane
CID 56627592
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
1-butyl-4-propylcyclononane
CID 123467552
1-butyl-4-methylcyclooctane
CID 123623113

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane?
The IUPAC name of 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane (CID 146793992) is 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane is CCCCC1CCC(C2CCC(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane?
The InChIKey is RWJVJCGSSXVZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-2-3-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-5-8-18/h17-21H,2-16H2,1H3.
What are the key properties of 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane?
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane has a molecular weight of 290.54 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane is sourced from PubChem (CID 146793992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).