tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane

C17H36O3Si — CID 101016623

IUPACtert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
SMILESCC(CCCCO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C17H36O3Si/c1-15(20-16-12-8-9-13-18-16)11-7-10-14-19-21(5,6)17(2,3)4/h15-16H,7-14H2,1-6H3
InChIKeyKLLZPIIQHIXBAX-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.11
Rot. Bonds8

About tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane

tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane (PubChem CID 101016623) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
PubChem CID101016623
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Nametert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
SMILESCC(CCCCO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C17H36O3Si/c1-15(20-16-12-8-9-13-18-16)11-7-10-14-19-21(5,6)17(2,3)4/h15-16H,7-14H2,1-6H3
InChIKeyKLLZPIIQHIXBAX-UHFFFAOYSA-N
XLogP5.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane (CID 101016623) is tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane is CC(CCCCO[Si](C)(C)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane?
The InChIKey is KLLZPIIQHIXBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-15(20-16-12-8-9-13-18-16)11-7-10-14-19-21(5,6)17(2,3)4/h15-16H,7-14H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane?
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane has a molecular weight of 316.56 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane is sourced from PubChem (CID 101016623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).