trimethyl-(2-octadecyloxan-2-yl)silane

C26H54OSi — CID 68565635

IUPACtrimethyl-(2-octadecyloxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C26H54OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28(2,3)4)24-21-22-25-27-26/h5-25H2,1-4H3
InChIKeyXCWKOUCYQAIPPP-UHFFFAOYSA-N
MW410.80 g/mol
LogP9.45
Rot. Bonds18

About trimethyl-(2-octadecyloxan-2-yl)silane

trimethyl-(2-octadecyloxan-2-yl)silane (PubChem CID 68565635) has the molecular formula C26H54OSi and a molecular weight of 410.80 g/mol. Its IUPAC name is trimethyl-(2-octadecyloxan-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(2-octadecyloxan-2-yl)silane
PubChem CID68565635
Molecular FormulaC26H54OSi
Molecular Weight410.80 g/mol
Exact Mass410.39
IUPAC Nametrimethyl-(2-octadecyloxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C26H54OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28(2,3)4)24-21-22-25-27-26/h5-25H2,1-4H3
InChIKeyXCWKOUCYQAIPPP-UHFFFAOYSA-N
XLogP9.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.80
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-octadecyloxan-2-yl)silane?
The IUPAC name of trimethyl-(2-octadecyloxan-2-yl)silane (CID 68565635) is trimethyl-(2-octadecyloxan-2-yl)silane.
What is the SMILES notation for trimethyl-(2-octadecyloxan-2-yl)silane?
The canonical SMILES for trimethyl-(2-octadecyloxan-2-yl)silane is CCCCCCCCCCCCCCCCCCC1([Si](C)(C)C)CCCCO1.
What is the InChIKey of trimethyl-(2-octadecyloxan-2-yl)silane?
The InChIKey is XCWKOUCYQAIPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28(2,3)4)24-21-22-25-27-26/h5-25H2,1-4H3.
What are the key properties of trimethyl-(2-octadecyloxan-2-yl)silane?
trimethyl-(2-octadecyloxan-2-yl)silane has a molecular weight of 410.80 g/mol, XLogP of 9.45, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-octadecyloxan-2-yl)silane is sourced from PubChem (CID 68565635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).