cyclobutanone;undecanoic acid

C15H28O3 — CID 53445946

IUPACcyclobutanone;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.O=C1CCC1
InChIInChI=1S/C11H22O2.C4H6O/c1-2-3-4-5-6-7-8-9-10-11(12)13;5-4-2-1-3-4/h2-10H2,1H3,(H,12,13);1-3H2
InChIKeyJGRHUZFZBIGIAE-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.34
Rot. Bonds9

About cyclobutanone;undecanoic acid

cyclobutanone;undecanoic acid (PubChem CID 53445946) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is cyclobutanone;undecanoic acid.

Molecular Properties

Compound Namecyclobutanone;undecanoic acid
PubChem CID53445946
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namecyclobutanone;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.O=C1CCC1
InChIInChI=1S/C11H22O2.C4H6O/c1-2-3-4-5-6-7-8-9-10-11(12)13;5-4-2-1-3-4/h2-10H2,1H3,(H,12,13);1-3H2
InChIKeyJGRHUZFZBIGIAE-UHFFFAOYSA-N
XLogP4.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclobutanone;undecanoic 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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of cyclobutanone;undecanoic acid?
The IUPAC name of cyclobutanone;undecanoic acid (CID 53445946) is cyclobutanone;undecanoic acid.
What is the SMILES notation for cyclobutanone;undecanoic acid?
The canonical SMILES for cyclobutanone;undecanoic acid is CCCCCCCCCCC(=O)O.O=C1CCC1.
What is the InChIKey of cyclobutanone;undecanoic acid?
The InChIKey is JGRHUZFZBIGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C4H6O/c1-2-3-4-5-6-7-8-9-10-11(12)13;5-4-2-1-3-4/h2-10H2,1H3,(H,12,13);1-3H2.
What are the key properties of cyclobutanone;undecanoic acid?
cyclobutanone;undecanoic acid has a molecular weight of 256.39 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanone;undecanoic acid is sourced from PubChem (CID 53445946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).