icosylcyclohexane

C26H52 — CID 20511

IUPACicosylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3
InChIKeyPSPNTGGVAYLSJO-UHFFFAOYSA-N
MW364.70 g/mol
LogP10.00
Rot. Bonds19

About icosylcyclohexane

icosylcyclohexane (PubChem CID 20511) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is icosylcyclohexane.

Molecular Properties

Compound Nameicosylcyclohexane
PubChem CID20511
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Nameicosylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3
InChIKeyPSPNTGGVAYLSJO-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze icosylcyclohexane 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

Pristane
CID 15979
Butylcyclohexane
CID 15506
1-Methyl-4-isopropylcyclohexane
CID 7459
Squalane
CID 8089
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
Phytane
CID 12523
Pentylcyclohexane
CID 20284
Farnesane
CID 19773
Propylcyclohexane
CID 15505
sec-Butylcyclohexane
CID 23468
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938

Frequently Asked Questions

What is the IUPAC name of icosylcyclohexane?
The IUPAC name of icosylcyclohexane (CID 20511) is icosylcyclohexane.
What is the SMILES notation for icosylcyclohexane?
The canonical SMILES for icosylcyclohexane is CCCCCCCCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of icosylcyclohexane?
The InChIKey is PSPNTGGVAYLSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3.
What are the key properties of icosylcyclohexane?
icosylcyclohexane has a molecular weight of 364.70 g/mol, XLogP of 10.00, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosylcyclohexane is sourced from PubChem (CID 20511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).