nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane

C21H26 — CID 20665313

IUPACnonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane
SMILESC1C2CC3C4CC(C1C23)C1C4C2C1C1C3C4CCC4C3C21
InChIInChI=1S/C21H26/c1-2-8-7(1)14-15(8)19-18(14)20-16-11-5-12(17(16)21(19)20)10-4-6-3-9(11)13(6)10/h6-21H,1-5H2
InChIKeyAZXHZWWYKUNJND-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.92
Rot. Bonds

About nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane

nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane (PubChem CID 20665313) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane.

Molecular Properties

Compound Namenonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane
PubChem CID20665313
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Namenonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane
SMILESC1C2CC3C4CC(C1C23)C1C4C2C1C1C3C4CCC4C3C21
InChIInChI=1S/C21H26/c1-2-8-7(1)14-15(8)19-18(14)20-16-11-5-12(17(16)21(19)20)10-4-6-3-9(11)13(6)10/h6-21H,1-5H2
InChIKeyAZXHZWWYKUNJND-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane 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 nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane?
The IUPAC name of nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane (CID 20665313) is nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane.
What is the SMILES notation for nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane?
The canonical SMILES for nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane is C1C2CC3C4CC(C1C23)C1C4C2C1C1C3C4CCC4C3C21.
What is the InChIKey of nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane?
The InChIKey is AZXHZWWYKUNJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-2-8-7(1)14-15(8)19-18(14)20-16-11-5-12(17(16)21(19)20)10-4-6-3-9(11)13(6)10/h6-21H,1-5H2.
What are the key properties of nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane?
nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane has a molecular weight of 278.44 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane is sourced from PubChem (CID 20665313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).