[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate

C24H42O2 — CID 70424694

IUPAC[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
SMILESCCCCC1CCC(C2CCC(C3CCC(OC(C)=O)CC3)CC2)CC1
InChIInChI=1S/C24H42O2/c1-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)26-18(2)25/h19-24H,3-17H2,1-2H3
InChIKeyDGLRGOLIHBPLSD-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.91
Rot. Bonds6

About [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate

[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate (PubChem CID 70424694) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
PubChem CID70424694
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
SMILESCCCCC1CCC(C2CCC(C3CCC(OC(C)=O)CC3)CC2)CC1
InChIInChI=1S/C24H42O2/c1-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)26-18(2)25/h19-24H,3-17H2,1-2H3
InChIKeyDGLRGOLIHBPLSD-UHFFFAOYSA-N
XLogP6.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate?
The IUPAC name of [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate (CID 70424694) is [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate.
What is the SMILES notation for [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate?
The canonical SMILES for [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate is CCCCC1CCC(C2CCC(C3CCC(OC(C)=O)CC3)CC2)CC1.
What is the InChIKey of [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate?
The InChIKey is DGLRGOLIHBPLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)26-18(2)25/h19-24H,3-17H2,1-2H3.
What are the key properties of [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate?
[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate has a molecular weight of 362.60 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate is sourced from PubChem (CID 70424694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).