dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane

C40H86Cl2O2Si2 — CID 174467708

IUPACdichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl.CCCCCCCCCCCCCCCCCC[Si](C)(OC)OC
InChIInChI=1S/C21H46O2Si.C19H40Cl2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(4,22-2)23-3;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,20)21/h5-21H2,1-4H3;3-19H2,1-2H3
InChIKeyTWFGUWIGIHMXHT-UHFFFAOYSA-N
MW726.20 g/mol
LogP16.41
Rot. Bonds36

About dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane

dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane (PubChem CID 174467708) has the molecular formula C40H86Cl2O2Si2 and a molecular weight of 726.20 g/mol. Its IUPAC name is dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane.

Molecular Properties

Compound Namedichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane
PubChem CID174467708
Molecular FormulaC40H86Cl2O2Si2
Molecular Weight726.20 g/mol
Exact Mass724.55
IUPAC Namedichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl.CCCCCCCCCCCCCCCCCC[Si](C)(OC)OC
InChIInChI=1S/C21H46O2Si.C19H40Cl2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(4,22-2)23-3;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,20)21/h5-21H2,1-4H3;3-19H2,1-2H3
InChIKeyTWFGUWIGIHMXHT-UHFFFAOYSA-N
XLogP16.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.20
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
dichloro-[5-[dichloro(methyl)silyl]pentyl]-methylsilane
CID 154317252
dichloro-hexyl-methoxysilane
CID 140744855
trichloro(octadecyl)silane;trimethoxy(methyl)silane
CID 174224724
methoxy-methyl-octyl-(trifluoromethoxy)silane
CID 150249680
hexadecyl-methoxy-dimethylsilane
CID 22228661
methoxy-dimethyl-nonylsilane
CID 58695494
trichloro(octadecyl)silane;trimethoxy(octadecyl)silane
CID 174467705
chloro-hexyl-iodo-methoxysilane
CID 154486924
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane?
The IUPAC name of dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane (CID 174467708) is dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane.
What is the SMILES notation for dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane?
The canonical SMILES for dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane is CCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl.CCCCCCCCCCCCCCCCCC[Si](C)(OC)OC.
What is the InChIKey of dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane?
The InChIKey is TWFGUWIGIHMXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O2Si.C19H40Cl2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(4,22-2)23-3;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,20)21/h5-21H2,1-4H3;3-19H2,1-2H3.
What are the key properties of dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane?
dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane has a molecular weight of 726.20 g/mol, XLogP of 16.41, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane is sourced from PubChem (CID 174467708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).