tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane

C12H26O2Si — CID 54753890

IUPACtert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCCCO1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-10-11-8-6-7-9-13-11/h11H,6-10H2,1-5H3
InChIKeyFMEHEGOIJLPZBS-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane

tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane (PubChem CID 54753890) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
PubChem CID54753890
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCCCO1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-10-11-8-6-7-9-13-11/h11H,6-10H2,1-5H3
InChIKeyFMEHEGOIJLPZBS-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane (CID 54753890) is tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane is CC(C)(C)[Si](C)(C)OCC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane?
The InChIKey is FMEHEGOIJLPZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-10-11-8-6-7-9-13-11/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane?
tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane has a molecular weight of 230.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane is sourced from PubChem (CID 54753890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).