[dichlorooxy(dodecyl)silyl] hypochlorite

C12H25Cl3O3Si — CID 141441116

IUPAC[dichlorooxy(dodecyl)silyl] hypochlorite
SMILESCCCCCCCCCCCC[Si](OCl)(OCl)OCl
InChIInChI=1S/C12H25Cl3O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-19(16-13,17-14)18-15/h2-12H2,1H3
InChIKeyQREXUJNEYQFSNF-UHFFFAOYSA-N
MW351.77 g/mol
LogP6.36
Rot. Bonds14

About [dichlorooxy(dodecyl)silyl] hypochlorite

[dichlorooxy(dodecyl)silyl] hypochlorite (PubChem CID 141441116) has the molecular formula C12H25Cl3O3Si and a molecular weight of 351.77 g/mol. Its IUPAC name is [dichlorooxy(dodecyl)silyl] hypochlorite.

Molecular Properties

Compound Name[dichlorooxy(dodecyl)silyl] hypochlorite
PubChem CID141441116
Molecular FormulaC12H25Cl3O3Si
Molecular Weight351.77 g/mol
Exact Mass350.06
IUPAC Name[dichlorooxy(dodecyl)silyl] hypochlorite
SMILESCCCCCCCCCCCC[Si](OCl)(OCl)OCl
InChIInChI=1S/C12H25Cl3O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-19(16-13,17-14)18-15/h2-12H2,1H3
InChIKeyQREXUJNEYQFSNF-UHFFFAOYSA-N
XLogP6.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.77
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [dichlorooxy(dodecyl)silyl] hypochlorite 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

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane
CID 101049224
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(henicosyl)silane
CID 141362894
trichloro(octadecyl)silane;trimethoxy(octadecyl)silane
CID 174467705

Frequently Asked Questions

What is the IUPAC name of [dichlorooxy(dodecyl)silyl] hypochlorite?
The IUPAC name of [dichlorooxy(dodecyl)silyl] hypochlorite (CID 141441116) is [dichlorooxy(dodecyl)silyl] hypochlorite.
What is the SMILES notation for [dichlorooxy(dodecyl)silyl] hypochlorite?
The canonical SMILES for [dichlorooxy(dodecyl)silyl] hypochlorite is CCCCCCCCCCCC[Si](OCl)(OCl)OCl.
What is the InChIKey of [dichlorooxy(dodecyl)silyl] hypochlorite?
The InChIKey is QREXUJNEYQFSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl3O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-19(16-13,17-14)18-15/h2-12H2,1H3.
What are the key properties of [dichlorooxy(dodecyl)silyl] hypochlorite?
[dichlorooxy(dodecyl)silyl] hypochlorite has a molecular weight of 351.77 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dichlorooxy(dodecyl)silyl] hypochlorite is sourced from PubChem (CID 141441116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).