actinium;1-chloro-6-hydroxyhexan-2-one

C6H11AcClO2 — CID 20824367

IUPACactinium;1-chloro-6-hydroxyhexan-2-one
SMILESO=C(CCl)CCCCO.[Ac]
InChIInChI=1S/C6H11ClO2.Ac/c7-5-6(9)3-1-2-4-8;/h8H,1-5H2;
InChIKeyYPCUXAOFFDSZGK-UHFFFAOYSA-N
MW377.61 g/mol
LogP0.96
Rot. Bonds5

About actinium;1-chloro-6-hydroxyhexan-2-one

actinium;1-chloro-6-hydroxyhexan-2-one (PubChem CID 20824367) has the molecular formula C6H11AcClO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is actinium;1-chloro-6-hydroxyhexan-2-one.

Molecular Properties

Compound Nameactinium;1-chloro-6-hydroxyhexan-2-one
PubChem CID20824367
Molecular FormulaC6H11AcClO2
Molecular Weight377.61 g/mol
Exact Mass377.07
IUPAC Nameactinium;1-chloro-6-hydroxyhexan-2-one
SMILESO=C(CCl)CCCCO.[Ac]
InChIInChI=1S/C6H11ClO2.Ac/c7-5-6(9)3-1-2-4-8;/h8H,1-5H2;
InChIKeyYPCUXAOFFDSZGK-UHFFFAOYSA-N
XLogP0.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze actinium;1-chloro-6-hydroxyhexan-2-one 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 actinium;1-chloro-6-hydroxyhexan-2-one?
The IUPAC name of actinium;1-chloro-6-hydroxyhexan-2-one (CID 20824367) is actinium;1-chloro-6-hydroxyhexan-2-one.
What is the SMILES notation for actinium;1-chloro-6-hydroxyhexan-2-one?
The canonical SMILES for actinium;1-chloro-6-hydroxyhexan-2-one is O=C(CCl)CCCCO.[Ac].
What is the InChIKey of actinium;1-chloro-6-hydroxyhexan-2-one?
The InChIKey is YPCUXAOFFDSZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2.Ac/c7-5-6(9)3-1-2-4-8;/h8H,1-5H2;.
What are the key properties of actinium;1-chloro-6-hydroxyhexan-2-one?
actinium;1-chloro-6-hydroxyhexan-2-one has a molecular weight of 377.61 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-chloro-6-hydroxyhexan-2-one is sourced from PubChem (CID 20824367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).