tricosane-2,6,10,14,18,22-hexone

C23H36O6 — CID 537144

IUPACtricosane-2,6,10,14,18,22-hexone
SMILESCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(C)=O
InChIInChI=1S/C23H36O6/c1-18(24)8-3-10-20(26)12-5-14-22(28)16-7-17-23(29)15-6-13-21(27)11-4-9-19(2)25/h3-17H2,1-2H3
InChIKeyDYSGKWRKQGRDHT-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.29
Rot. Bonds20

About tricosane-2,6,10,14,18,22-hexone

tricosane-2,6,10,14,18,22-hexone (PubChem CID 537144) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol. Its IUPAC name is tricosane-2,6,10,14,18,22-hexone.

Molecular Properties

Compound Nametricosane-2,6,10,14,18,22-hexone
PubChem CID537144
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Nametricosane-2,6,10,14,18,22-hexone
SMILESCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(C)=O
InChIInChI=1S/C23H36O6/c1-18(24)8-3-10-20(26)12-5-14-22(28)16-7-17-23(29)15-6-13-21(27)11-4-9-19(2)25/h3-17H2,1-2H3
InChIKeyDYSGKWRKQGRDHT-UHFFFAOYSA-N
XLogP4.29
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tricosane-2,6,10,14,18,22-hexone 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 tricosane-2,6,10,14,18,22-hexone?
The IUPAC name of tricosane-2,6,10,14,18,22-hexone (CID 537144) is tricosane-2,6,10,14,18,22-hexone.
What is the SMILES notation for tricosane-2,6,10,14,18,22-hexone?
The canonical SMILES for tricosane-2,6,10,14,18,22-hexone is CC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(C)=O.
What is the InChIKey of tricosane-2,6,10,14,18,22-hexone?
The InChIKey is DYSGKWRKQGRDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O6/c1-18(24)8-3-10-20(26)12-5-14-22(28)16-7-17-23(29)15-6-13-21(27)11-4-9-19(2)25/h3-17H2,1-2H3.
What are the key properties of tricosane-2,6,10,14,18,22-hexone?
tricosane-2,6,10,14,18,22-hexone has a molecular weight of 408.54 g/mol, XLogP of 4.29, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tricosane-2,6,10,14,18,22-hexone is sourced from PubChem (CID 537144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).