1,1,2,2-tetra(pentadecyl)cyclohexane

C66H132 — CID 175058240

IUPAC1,1,2,2-tetra(pentadecyl)cyclohexane
SMILESCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)CCCCC1(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C66H132/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-59-65(60-54-50-46-42-38-34-30-26-22-18-14-10-6-2)63-57-58-64-66(65,61-55-51-47-43-39-35-31-27-23-19-15-11-7-3)62-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyAOQPRGFSHCKLPI-UHFFFAOYSA-N
MW925.78 g/mol
LogP25.46
Rot. Bonds56

About 1,1,2,2-tetra(pentadecyl)cyclohexane

1,1,2,2-tetra(pentadecyl)cyclohexane (PubChem CID 175058240) has the molecular formula C66H132 and a molecular weight of 925.78 g/mol. Its IUPAC name is 1,1,2,2-tetra(pentadecyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2-tetra(pentadecyl)cyclohexane
PubChem CID175058240
Molecular FormulaC66H132
Molecular Weight925.78 g/mol
Exact Mass925.03
IUPAC Name1,1,2,2-tetra(pentadecyl)cyclohexane
SMILESCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)CCCCC1(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C66H132/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-59-65(60-54-50-46-42-38-34-30-26-22-18-14-10-6-2)63-57-58-64-66(65,61-55-51-47-43-39-35-31-27-23-19-15-11-7-3)62-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyAOQPRGFSHCKLPI-UHFFFAOYSA-N
XLogP25.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds56
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.78
LogP ≤ 525.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2-tetra(pentadecyl)cyclohexane 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

1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
4,4-dipentyl-1,2-dioxaspiro[2.5]octane
CID 142683527
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-methyl-1-undecylcyclohexane
CID 86137257
1-chloro-1-hexylcyclohexane
CID 57072771
1,1-dipentylcyclononane
CID 169026027
1-octadecylcyclohexan-1-ol
CID 67204292
1-hexadecylcyclohexane-1-thiol
CID 165176793
1-heptylcycloheptan-1-amine
CID 63407607
1-heptylcycloheptan-1-ol
CID 57057960

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetra(pentadecyl)cyclohexane?
The IUPAC name of 1,1,2,2-tetra(pentadecyl)cyclohexane (CID 175058240) is 1,1,2,2-tetra(pentadecyl)cyclohexane.
What is the SMILES notation for 1,1,2,2-tetra(pentadecyl)cyclohexane?
The canonical SMILES for 1,1,2,2-tetra(pentadecyl)cyclohexane is CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)CCCCC1(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC.
What is the InChIKey of 1,1,2,2-tetra(pentadecyl)cyclohexane?
The InChIKey is AOQPRGFSHCKLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H132/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-59-65(60-54-50-46-42-38-34-30-26-22-18-14-10-6-2)63-57-58-64-66(65,61-55-51-47-43-39-35-31-27-23-19-15-11-7-3)62-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3.
What are the key properties of 1,1,2,2-tetra(pentadecyl)cyclohexane?
1,1,2,2-tetra(pentadecyl)cyclohexane has a molecular weight of 925.78 g/mol, XLogP of 25.46, 56 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetra(pentadecyl)cyclohexane is sourced from PubChem (CID 175058240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).