carbonochloridic acid;cycloundecane

C12H23ClO2 — CID 88753248

IUPACcarbonochloridic acid;cycloundecane
SMILESC1CCCCCCCCCC1.O=C(O)Cl
InChIInChI=1S/C11H22.CHClO2/c1-2-4-6-8-10-11-9-7-5-3-1;2-1(3)4/h1-11H2;(H,3,4)
InChIKeyQSQFMGBMLDPEKW-UHFFFAOYSA-N
MW234.77 g/mol
LogP5.19
Rot. Bonds

About carbonochloridic acid;cycloundecane

carbonochloridic acid;cycloundecane (PubChem CID 88753248) has the molecular formula C12H23ClO2 and a molecular weight of 234.77 g/mol. Its IUPAC name is carbonochloridic acid;cycloundecane.

Molecular Properties

Compound Namecarbonochloridic acid;cycloundecane
PubChem CID88753248
Molecular FormulaC12H23ClO2
Molecular Weight234.77 g/mol
Exact Mass234.14
IUPAC Namecarbonochloridic acid;cycloundecane
SMILESC1CCCCCCCCCC1.O=C(O)Cl
InChIInChI=1S/C11H22.CHClO2/c1-2-4-6-8-10-11-9-7-5-3-1;2-1(3)4/h1-11H2;(H,3,4)
InChIKeyQSQFMGBMLDPEKW-UHFFFAOYSA-N
XLogP5.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.77
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbonochloridic acid;cycloundecane 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 carbonochloridic acid;cycloundecane?
The IUPAC name of carbonochloridic acid;cycloundecane (CID 88753248) is carbonochloridic acid;cycloundecane.
What is the SMILES notation for carbonochloridic acid;cycloundecane?
The canonical SMILES for carbonochloridic acid;cycloundecane is C1CCCCCCCCCC1.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;cycloundecane?
The InChIKey is QSQFMGBMLDPEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.CHClO2/c1-2-4-6-8-10-11-9-7-5-3-1;2-1(3)4/h1-11H2;(H,3,4).
What are the key properties of carbonochloridic acid;cycloundecane?
carbonochloridic acid;cycloundecane has a molecular weight of 234.77 g/mol, XLogP of 5.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;cycloundecane is sourced from PubChem (CID 88753248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).