dichloro(28-chlorooctacosyl)silane

C28H57Cl3Si — CID 173136314

IUPACdichloro(28-chlorooctacosyl)silane
SMILESClCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C28H57Cl3Si/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-32(30)31/h32H,1-28H2
InChIKeyZQSFLWDGSJCFRJ-UHFFFAOYSA-N
MW528.21 g/mol
LogP12.07
Rot. Bonds28

About dichloro(28-chlorooctacosyl)silane

dichloro(28-chlorooctacosyl)silane (PubChem CID 173136314) has the molecular formula C28H57Cl3Si and a molecular weight of 528.21 g/mol. Its IUPAC name is dichloro(28-chlorooctacosyl)silane.

Molecular Properties

Compound Namedichloro(28-chlorooctacosyl)silane
PubChem CID173136314
Molecular FormulaC28H57Cl3Si
Molecular Weight528.21 g/mol
Exact Mass526.33
IUPAC Namedichloro(28-chlorooctacosyl)silane
SMILESClCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C28H57Cl3Si/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-32(30)31/h32H,1-28H2
InChIKeyZQSFLWDGSJCFRJ-UHFFFAOYSA-N
XLogP12.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.21
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloro(28-chlorooctacosyl)silane 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 dichloro(28-chlorooctacosyl)silane?
The IUPAC name of dichloro(28-chlorooctacosyl)silane (CID 173136314) is dichloro(28-chlorooctacosyl)silane.
What is the SMILES notation for dichloro(28-chlorooctacosyl)silane?
The canonical SMILES for dichloro(28-chlorooctacosyl)silane is ClCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of dichloro(28-chlorooctacosyl)silane?
The InChIKey is ZQSFLWDGSJCFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57Cl3Si/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-32(30)31/h32H,1-28H2.
What are the key properties of dichloro(28-chlorooctacosyl)silane?
dichloro(28-chlorooctacosyl)silane has a molecular weight of 528.21 g/mol, XLogP of 12.07, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(28-chlorooctacosyl)silane is sourced from PubChem (CID 173136314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).