chloro-(2-ethylhexacosyl)-dimethylsilane

C30H63ClSi — CID 87449643

IUPACchloro-(2-ethylhexacosyl)-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(CC)C[Si](C)(C)Cl
InChIInChI=1S/C30H63ClSi/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(6-2)29-32(3,4)31/h30H,5-29H2,1-4H3
InChIKeyLVFKKIWKDBQTRL-UHFFFAOYSA-N
MW487.37 g/mol
LogP12.45
Rot. Bonds26

About chloro-(2-ethylhexacosyl)-dimethylsilane

chloro-(2-ethylhexacosyl)-dimethylsilane (PubChem CID 87449643) has the molecular formula C30H63ClSi and a molecular weight of 487.37 g/mol. Its IUPAC name is chloro-(2-ethylhexacosyl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(2-ethylhexacosyl)-dimethylsilane
PubChem CID87449643
Molecular FormulaC30H63ClSi
Molecular Weight487.37 g/mol
Exact Mass486.44
IUPAC Namechloro-(2-ethylhexacosyl)-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(CC)C[Si](C)(C)Cl
InChIInChI=1S/C30H63ClSi/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(6-2)29-32(3,4)31/h30H,5-29H2,1-4H3
InChIKeyLVFKKIWKDBQTRL-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.37
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
dichloro-bis[(2R)-2-ethylhexyl]silane
CID 99738317
ethane;3-ethylundecane
CID 144815521
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethyloctane;propane
CID 143682929

Frequently Asked Questions

What is the IUPAC name of chloro-(2-ethylhexacosyl)-dimethylsilane?
The IUPAC name of chloro-(2-ethylhexacosyl)-dimethylsilane (CID 87449643) is chloro-(2-ethylhexacosyl)-dimethylsilane.
What is the SMILES notation for chloro-(2-ethylhexacosyl)-dimethylsilane?
The canonical SMILES for chloro-(2-ethylhexacosyl)-dimethylsilane is CCCCCCCCCCCCCCCCCCCCCCCCC(CC)C[Si](C)(C)Cl.
What is the InChIKey of chloro-(2-ethylhexacosyl)-dimethylsilane?
The InChIKey is LVFKKIWKDBQTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63ClSi/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(6-2)29-32(3,4)31/h30H,5-29H2,1-4H3.
What are the key properties of chloro-(2-ethylhexacosyl)-dimethylsilane?
chloro-(2-ethylhexacosyl)-dimethylsilane has a molecular weight of 487.37 g/mol, XLogP of 12.45, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-ethylhexacosyl)-dimethylsilane is sourced from PubChem (CID 87449643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).