1-(9-carboxynonyl)cycloundecane-1-carboxylic acid

C22H40O4 — CID 66641441

IUPAC1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
SMILESO=C(O)CCCCCCCCCC1(C(=O)O)CCCCCCCCCC1
InChIInChI=1S/C22H40O4/c23-20(24)16-12-8-4-3-7-11-15-19-22(21(25)26)17-13-9-5-1-2-6-10-14-18-22/h1-19H2,(H,23,24)(H,25,26)
InChIKeyMRCKRPXRZPJOQG-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.57
Rot. Bonds11

About 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid

1-(9-carboxynonyl)cycloundecane-1-carboxylic acid (PubChem CID 66641441) has the molecular formula C22H40O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid.

Molecular Properties

Compound Name1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
PubChem CID66641441
Molecular FormulaC22H40O4
Molecular Weight368.56 g/mol
Exact Mass368.29
IUPAC Name1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
SMILESO=C(O)CCCCCCCCCC1(C(=O)O)CCCCCCCCCC1
InChIInChI=1S/C22H40O4/c23-20(24)16-12-8-4-3-7-11-15-19-22(21(25)26)17-13-9-5-1-2-6-10-14-18-22/h1-19H2,(H,23,24)(H,25,26)
InChIKeyMRCKRPXRZPJOQG-UHFFFAOYSA-N
XLogP6.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(9-carboxynonyl)cycloundecane-1-carboxylic 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

1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262
16-(1-chlorocyclohexyl)hexadecanoic acid
CID 174354712
cyclohexane-1,1-dicarboxylic acid;hexanedioic acid
CID 161480417
4-(3-carboxypropyl)oxane-4-carboxylic acid
CID 70529226

Frequently Asked Questions

What is the IUPAC name of 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid?
The IUPAC name of 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid (CID 66641441) is 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid.
What is the SMILES notation for 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid?
The canonical SMILES for 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid is O=C(O)CCCCCCCCCC1(C(=O)O)CCCCCCCCCC1.
What is the InChIKey of 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid?
The InChIKey is MRCKRPXRZPJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O4/c23-20(24)16-12-8-4-3-7-11-15-19-22(21(25)26)17-13-9-5-1-2-6-10-14-18-22/h1-19H2,(H,23,24)(H,25,26).
What are the key properties of 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid?
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid has a molecular weight of 368.56 g/mol, XLogP of 6.57, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-carboxynonyl)cycloundecane-1-carboxylic acid is sourced from PubChem (CID 66641441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).