dichloro-(2-methylpropyl)-octadecylsilane

C22H46Cl2Si — CID 141127282

IUPACdichloro-(2-methylpropyl)-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)CC(C)C
InChIInChI=1S/C22H46Cl2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(23,24)21-22(2)3/h22H,4-21H2,1-3H3
InChIKeyDEIMEOFZOQWTKT-UHFFFAOYSA-N
MW409.60 g/mol
LogP9.82
Rot. Bonds19

About dichloro-(2-methylpropyl)-octadecylsilane

dichloro-(2-methylpropyl)-octadecylsilane (PubChem CID 141127282) has the molecular formula C22H46Cl2Si and a molecular weight of 409.60 g/mol. Its IUPAC name is dichloro-(2-methylpropyl)-octadecylsilane.

Molecular Properties

Compound Namedichloro-(2-methylpropyl)-octadecylsilane
PubChem CID141127282
Molecular FormulaC22H46Cl2Si
Molecular Weight409.60 g/mol
Exact Mass408.27
IUPAC Namedichloro-(2-methylpropyl)-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)CC(C)C
InChIInChI=1S/C22H46Cl2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(23,24)21-22(2)3/h22H,4-21H2,1-3H3
InChIKeyDEIMEOFZOQWTKT-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 59.82
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

butyl-dichloro-octylsilane
CID 140745133
dichloro-[6-[dichloro-[6-[dichloro-[6-[dichloro-[6-[dichloro(heptyl)silyl]hexyl]silyl]hexyl]silyl]hexyl]silyl]hexyl]-propylsilane
CID 59426953
chloro-tri(nonyl)silane
CID 140826961
dichloro-(2-cyclopenta-2,4-dien-1-ylpropyl)-hexylsilane
CID 102005546
chloro-dimethyl-nonadecylsilane
CID 87338427
2-methylheptane;trichloro(decyl)silane;hydrofluoride
CID 174930865
trichloro(octyl)silane
CID 21354
[bis(2-methylpropyl)-octadecylsilyl]oxysilyloxy-bis(2-methylpropyl)-octadecylsilane
CID 123807674
dichloro-octyl-prop-2-enylsilane
CID 15447229
dibutyl-chloro-[4-[dibutyl(chloro)silyl]butyl]silane
CID 87144873
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
dichloro-iodo-octylsilane
CID 154486818

Frequently Asked Questions

What is the IUPAC name of dichloro-(2-methylpropyl)-octadecylsilane?
The IUPAC name of dichloro-(2-methylpropyl)-octadecylsilane (CID 141127282) is dichloro-(2-methylpropyl)-octadecylsilane.
What is the SMILES notation for dichloro-(2-methylpropyl)-octadecylsilane?
The canonical SMILES for dichloro-(2-methylpropyl)-octadecylsilane is CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)CC(C)C.
What is the InChIKey of dichloro-(2-methylpropyl)-octadecylsilane?
The InChIKey is DEIMEOFZOQWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46Cl2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(23,24)21-22(2)3/h22H,4-21H2,1-3H3.
What are the key properties of dichloro-(2-methylpropyl)-octadecylsilane?
dichloro-(2-methylpropyl)-octadecylsilane has a molecular weight of 409.60 g/mol, XLogP of 9.82, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2-methylpropyl)-octadecylsilane is sourced from PubChem (CID 141127282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).