2,2,6-trimethyl-6-octyloxasilinane

C15H32OSi — CID 66678079

IUPAC2,2,6-trimethyl-6-octyloxasilinane
SMILESCCCCCCCCC1(C)CCC[Si](C)(C)O1
InChIInChI=1S/C15H32OSi/c1-5-6-7-8-9-10-12-15(2)13-11-14-17(3,4)16-15/h5-14H2,1-4H3
InChIKeyZPNSEHFPHNUODE-UHFFFAOYSA-N
MW256.51 g/mol
LogP5.51
Rot. Bonds7

About 2,2,6-trimethyl-6-octyloxasilinane

2,2,6-trimethyl-6-octyloxasilinane (PubChem CID 66678079) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-octyloxasilinane.

Molecular Properties

Compound Name2,2,6-trimethyl-6-octyloxasilinane
PubChem CID66678079
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Name2,2,6-trimethyl-6-octyloxasilinane
SMILESCCCCCCCCC1(C)CCC[Si](C)(C)O1
InChIInChI=1S/C15H32OSi/c1-5-6-7-8-9-10-12-15(2)13-11-14-17(3,4)16-15/h5-14H2,1-4H3
InChIKeyZPNSEHFPHNUODE-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.51
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 2,2,6-trimethyl-6-octyloxasilinane?
The IUPAC name of 2,2,6-trimethyl-6-octyloxasilinane (CID 66678079) is 2,2,6-trimethyl-6-octyloxasilinane.
What is the SMILES notation for 2,2,6-trimethyl-6-octyloxasilinane?
The canonical SMILES for 2,2,6-trimethyl-6-octyloxasilinane is CCCCCCCCC1(C)CCC[Si](C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-6-octyloxasilinane?
The InChIKey is ZPNSEHFPHNUODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi/c1-5-6-7-8-9-10-12-15(2)13-11-14-17(3,4)16-15/h5-14H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-6-octyloxasilinane?
2,2,6-trimethyl-6-octyloxasilinane has a molecular weight of 256.51 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-octyloxasilinane is sourced from PubChem (CID 66678079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).