tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane

C20H44O3Si — CID 71423897

IUPACtert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane
SMILESCOC(CCCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C20H44O3Si/c1-20(2,3)24(6,7)23-18-16-14-12-10-8-9-11-13-15-17-19(21-4)22-5/h19H,8-18H2,1-7H3
InChIKeyIYGYHTROSNNHIZ-UHFFFAOYSA-N
MW360.66 g/mol
LogP6.53
Rot. Bonds15

About tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane

tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane (PubChem CID 71423897) has the molecular formula C20H44O3Si and a molecular weight of 360.66 g/mol. Its IUPAC name is tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane
PubChem CID71423897
Molecular FormulaC20H44O3Si
Molecular Weight360.66 g/mol
Exact Mass360.31
IUPAC Nametert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane
SMILESCOC(CCCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C20H44O3Si/c1-20(2,3)24(6,7)23-18-16-14-12-10-8-9-11-13-15-17-19(21-4)22-5/h19H,8-18H2,1-7H3
InChIKeyIYGYHTROSNNHIZ-UHFFFAOYSA-N
XLogP6.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.66
LogP ≤ 56.53
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane (CID 71423897) is tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane is COC(CCCCCCCCCCCO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane?
The InChIKey is IYGYHTROSNNHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O3Si/c1-20(2,3)24(6,7)23-18-16-14-12-10-8-9-11-13-15-17-19(21-4)22-5/h19H,8-18H2,1-7H3.
What are the key properties of tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane?
tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane has a molecular weight of 360.66 g/mol, XLogP of 6.53, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(12,12-dimethoxydodecoxy)-dimethylsilane is sourced from PubChem (CID 71423897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).