dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane

C26H54O2Si — CID 70131439

IUPACdimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCC(C)O[Si](C)(C)C1CCCCO1
InChIInChI=1S/C26H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2)28-29(3,4)26-23-20-21-24-27-26/h25-26H,5-24H2,1-4H3
InChIKeyIPADXDMBHXXEPB-UHFFFAOYSA-N
MW426.80 g/mol
LogP8.97
Rot. Bonds19

About dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane

dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane (PubChem CID 70131439) has the molecular formula C26H54O2Si and a molecular weight of 426.80 g/mol. Its IUPAC name is dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane.

Molecular Properties

Compound Namedimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane
PubChem CID70131439
Molecular FormulaC26H54O2Si
Molecular Weight426.80 g/mol
Exact Mass426.39
IUPAC Namedimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCC(C)O[Si](C)(C)C1CCCCO1
InChIInChI=1S/C26H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2)28-29(3,4)26-23-20-21-24-27-26/h25-26H,5-24H2,1-4H3
InChIKeyIPADXDMBHXXEPB-UHFFFAOYSA-N
XLogP8.97
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 ≤ 58.97
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 dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane?
The IUPAC name of dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane (CID 70131439) is dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane.
What is the SMILES notation for dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane?
The canonical SMILES for dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane is CCCCCCCCCCCCCCCCCC(C)O[Si](C)(C)C1CCCCO1.
What is the InChIKey of dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane?
The InChIKey is IPADXDMBHXXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2)28-29(3,4)26-23-20-21-24-27-26/h25-26H,5-24H2,1-4H3.
What are the key properties of dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane?
dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane has a molecular weight of 426.80 g/mol, XLogP of 8.97, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane is sourced from PubChem (CID 70131439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).