trimethyl-(2-octadecoxyoxan-2-yl)silane

C26H54O2Si — CID 90956133

IUPACtrimethyl-(2-octadecoxyoxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCOC1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C26H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27-26(29(2,3)4)23-20-22-25-28-26/h5-25H2,1-4H3
InChIKeyVRQZXRFSWSLJIM-UHFFFAOYSA-N
MW426.80 g/mol
LogP9.04
Rot. Bonds19

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

trimethyl-(2-octadecoxyoxan-2-yl)silane (PubChem CID 90956133) has the molecular formula C26H54O2Si and a molecular weight of 426.80 g/mol. Its IUPAC name is trimethyl-(2-octadecoxyoxan-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(2-octadecoxyoxan-2-yl)silane
PubChem CID90956133
Molecular FormulaC26H54O2Si
Molecular Weight426.80 g/mol
Exact Mass426.39
IUPAC Nametrimethyl-(2-octadecoxyoxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCCOC1([Si](C)(C)C)CCCCO1
InChIInChI=1S/C26H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27-26(29(2,3)4)23-20-22-25-28-26/h5-25H2,1-4H3
InChIKeyVRQZXRFSWSLJIM-UHFFFAOYSA-N
XLogP9.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.80
LogP ≤ 59.04
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-octadecoxyoxan-2-yl)silane?
The IUPAC name of trimethyl-(2-octadecoxyoxan-2-yl)silane (CID 90956133) is trimethyl-(2-octadecoxyoxan-2-yl)silane.
What is the SMILES notation for trimethyl-(2-octadecoxyoxan-2-yl)silane?
The canonical SMILES for trimethyl-(2-octadecoxyoxan-2-yl)silane is CCCCCCCCCCCCCCCCCCOC1([Si](C)(C)C)CCCCO1.
What is the InChIKey of trimethyl-(2-octadecoxyoxan-2-yl)silane?
The InChIKey is VRQZXRFSWSLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27-26(29(2,3)4)23-20-22-25-28-26/h5-25H2,1-4H3.
What are the key properties of trimethyl-(2-octadecoxyoxan-2-yl)silane?
trimethyl-(2-octadecoxyoxan-2-yl)silane has a molecular weight of 426.80 g/mol, XLogP of 9.04, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-octadecoxyoxan-2-yl)silane is sourced from PubChem (CID 90956133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).