trichloro(octadecyl)silane;trimethoxy(methyl)silane

C22H49Cl3O3Si2 — CID 174224724

IUPACtrichloro(octadecyl)silane;trimethoxy(methyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.CO[Si](C)(OC)OC
InChIInChI=1S/C18H37Cl3Si.C4H12O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;1-5-8(4,6-2)7-3/h2-18H2,1H3;1-4H3
InChIKeyPGYMNFYMNVDGJA-UHFFFAOYSA-N
MW524.16 g/mol
LogP9.40
Rot. Bonds20

About trichloro(octadecyl)silane;trimethoxy(methyl)silane

trichloro(octadecyl)silane;trimethoxy(methyl)silane (PubChem CID 174224724) has the molecular formula C22H49Cl3O3Si2 and a molecular weight of 524.16 g/mol. Its IUPAC name is trichloro(octadecyl)silane;trimethoxy(methyl)silane.

Molecular Properties

Compound Nametrichloro(octadecyl)silane;trimethoxy(methyl)silane
PubChem CID174224724
Molecular FormulaC22H49Cl3O3Si2
Molecular Weight524.16 g/mol
Exact Mass522.23
IUPAC Nametrichloro(octadecyl)silane;trimethoxy(methyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.CO[Si](C)(OC)OC
InChIInChI=1S/C18H37Cl3Si.C4H12O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;1-5-8(4,6-2)7-3/h2-18H2,1H3;1-4H3
InChIKeyPGYMNFYMNVDGJA-UHFFFAOYSA-N
XLogP9.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.16
LogP ≤ 59.40
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trichloro(octadecyl)silane;trimethoxy(octadecyl)silane
CID 174467705
trichloro(octyl)silane
CID 21354
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
ethoxysilane;trichloro(octadecyl)silane
CID 158053635
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559
dichloro-hexyl-methoxysilane
CID 140744855
trichloro(3-chloropropyl)silane;trichloro(octyl)silane
CID 87989801
dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane
CID 174467708
methoxy-dimethyl-nonylsilane
CID 58695494
hexadecyl-methoxy-dimethylsilane
CID 22228661
chloro-hexyl-iodo-methoxysilane
CID 154486924
trichloro(18-octadecylsilyloctadecyl)silane
CID 172795504

Frequently Asked Questions

What is the IUPAC name of trichloro(octadecyl)silane;trimethoxy(methyl)silane?
The IUPAC name of trichloro(octadecyl)silane;trimethoxy(methyl)silane (CID 174224724) is trichloro(octadecyl)silane;trimethoxy(methyl)silane.
What is the SMILES notation for trichloro(octadecyl)silane;trimethoxy(methyl)silane?
The canonical SMILES for trichloro(octadecyl)silane;trimethoxy(methyl)silane is CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.CO[Si](C)(OC)OC.
What is the InChIKey of trichloro(octadecyl)silane;trimethoxy(methyl)silane?
The InChIKey is PGYMNFYMNVDGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37Cl3Si.C4H12O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;1-5-8(4,6-2)7-3/h2-18H2,1H3;1-4H3.
What are the key properties of trichloro(octadecyl)silane;trimethoxy(methyl)silane?
trichloro(octadecyl)silane;trimethoxy(methyl)silane has a molecular weight of 524.16 g/mol, XLogP of 9.40, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(octadecyl)silane;trimethoxy(methyl)silane is sourced from PubChem (CID 174224724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).