tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane

C21H44O3Si — CID 11046962

IUPACtert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H44O3Si/c1-21(2,3)25(4,5)24-19-14-11-9-7-6-8-10-13-17-22-20-16-12-15-18-23-20/h20H,6-19H2,1-5H3
InChIKeyKAGGHTQRAMRZLZ-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.67
Rot. Bonds13

About tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane

tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane (PubChem CID 11046962) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane
PubChem CID11046962
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Nametert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H44O3Si/c1-21(2,3)25(4,5)24-19-14-11-9-7-6-8-10-13-17-22-20-16-12-15-18-23-20/h20H,6-19H2,1-5H3
InChIKeyKAGGHTQRAMRZLZ-UHFFFAOYSA-N
XLogP6.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.67
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-[10-(oxan-2-yloxy)decoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane (CID 11046962) is tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane is CC(C)(C)[Si](C)(C)OCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane?
The InChIKey is KAGGHTQRAMRZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-21(2,3)25(4,5)24-19-14-11-9-7-6-8-10-13-17-22-20-16-12-15-18-23-20/h20H,6-19H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane?
tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane has a molecular weight of 372.67 g/mol, XLogP of 6.67, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane is sourced from PubChem (CID 11046962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).