1,2,2-tricyclohexylethylcyclohexane

C26H46 — CID 59850833

IUPAC1,2,2-tricyclohexylethylcyclohexane
SMILESC1CCC(C(C2CCCCC2)C(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C26H46/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-26H,1-20H2
InChIKeyNYPRDSSSNYTNCI-UHFFFAOYSA-N
MW358.65 g/mol
LogP8.54
Rot. Bonds5

About 1,2,2-tricyclohexylethylcyclohexane

1,2,2-tricyclohexylethylcyclohexane (PubChem CID 59850833) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 1,2,2-tricyclohexylethylcyclohexane.

Molecular Properties

Compound Name1,2,2-tricyclohexylethylcyclohexane
PubChem CID59850833
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name1,2,2-tricyclohexylethylcyclohexane
SMILESC1CCC(C(C2CCCCC2)C(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C26H46/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-26H,1-20H2
InChIKeyNYPRDSSSNYTNCI-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,2-tricyclohexylethylcyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
dicyclohexylmethyl(trimethyl)azanium
CID 140500252
1,2-dicyclohexylethylcyclohexane
CID 158413043
difluoromethylcyclohexane
CID 11804807
cyclohexane;dichloromethylcyclohexane
CID 118430501
difluoromethylcyclopentadecane
CID 101486578
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
cycloheptyl(cyclohexyl)methanamine
CID 65399873
(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane
CID 174717926

Frequently Asked Questions

What is the IUPAC name of 1,2,2-tricyclohexylethylcyclohexane?
The IUPAC name of 1,2,2-tricyclohexylethylcyclohexane (CID 59850833) is 1,2,2-tricyclohexylethylcyclohexane.
What is the SMILES notation for 1,2,2-tricyclohexylethylcyclohexane?
The canonical SMILES for 1,2,2-tricyclohexylethylcyclohexane is C1CCC(C(C2CCCCC2)C(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 1,2,2-tricyclohexylethylcyclohexane?
The InChIKey is NYPRDSSSNYTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-26H,1-20H2.
What are the key properties of 1,2,2-tricyclohexylethylcyclohexane?
1,2,2-tricyclohexylethylcyclohexane has a molecular weight of 358.65 g/mol, XLogP of 8.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tricyclohexylethylcyclohexane is sourced from PubChem (CID 59850833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).