22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid

C36H48O6 — CID 149410071

IUPAC22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
SMILESO=C(O)CCCCCCC(=O)CCCCCCC(=O)CCCCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C36H48O6/c37-28(19-9-3-5-11-25-35(39)40)17-7-1-2-8-18-29(38)20-10-4-6-12-26-36(41)42-27-34-32-23-15-13-21-30(32)31-22-14-16-24-33(31)34/h13-16,21-24,34H,1-12,17-20,25-27H2,(H,39,40)
InChIKeyYRBNJQAOXDMYEP-UHFFFAOYSA-N
MW576.77 g/mol
LogP8.59
Rot. Bonds23

About 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid

22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid (PubChem CID 149410071) has the molecular formula C36H48O6 and a molecular weight of 576.77 g/mol. Its IUPAC name is 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid.

Molecular Properties

Compound Name22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
PubChem CID149410071
Molecular FormulaC36H48O6
Molecular Weight576.77 g/mol
Exact Mass576.35
IUPAC Name22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
SMILESO=C(O)CCCCCCC(=O)CCCCCCC(=O)CCCCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C36H48O6/c37-28(19-9-3-5-11-25-35(39)40)17-7-1-2-8-18-29(38)20-10-4-6-12-26-36(41)42-27-34-32-23-15-13-21-30(32)31-22-14-16-24-33(31)34/h13-16,21-24,34H,1-12,17-20,25-27H2,(H,39,40)
InChIKeyYRBNJQAOXDMYEP-UHFFFAOYSA-N
XLogP8.59
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.77
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid 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

7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid
CID 162244816
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
(2S)-2-[[5-(9H-fluoren-9-ylmethoxy)-5-oxopentyl]amino]-3-sulfanylpropanoic acid
CID 154704337
bis(9H-fluoren-9-ylmethyl) 4,4-dimethyldecanedioate
CID 71142808
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
CID 23573686
CID 23573686
6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate
CID 165070861
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
CID 59806874

Frequently Asked Questions

What is the IUPAC name of 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid?
The IUPAC name of 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid (CID 149410071) is 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid.
What is the SMILES notation for 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid?
The canonical SMILES for 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid is O=C(O)CCCCCCC(=O)CCCCCCC(=O)CCCCCCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid?
The InChIKey is YRBNJQAOXDMYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48O6/c37-28(19-9-3-5-11-25-35(39)40)17-7-1-2-8-18-29(38)20-10-4-6-12-26-36(41)42-27-34-32-23-15-13-21-30(32)31-22-14-16-24-33(31)34/h13-16,21-24,34H,1-12,17-20,25-27H2,(H,39,40).
What are the key properties of 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid?
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid has a molecular weight of 576.77 g/mol, XLogP of 8.59, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid is sourced from PubChem (CID 149410071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).