tert-butyl-dodecan-2-yloxy-dimethylsilane

C18H40OSi — CID 6430227

IUPACtert-butyl-dodecan-2-yloxy-dimethylsilane
SMILESCCCCCCCCCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40OSi/c1-8-9-10-11-12-13-14-15-16-17(2)19-20(6,7)18(3,4)5/h17H,8-16H2,1-7H3
InChIKeyACCRWZLOQPMAKX-UHFFFAOYSA-N
MW300.60 g/mol
LogP6.93
Rot. Bonds11

About tert-butyl-dodecan-2-yloxy-dimethylsilane

tert-butyl-dodecan-2-yloxy-dimethylsilane (PubChem CID 6430227) has the molecular formula C18H40OSi and a molecular weight of 300.60 g/mol. Its IUPAC name is tert-butyl-dodecan-2-yloxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-dodecan-2-yloxy-dimethylsilane
PubChem CID6430227
Molecular FormulaC18H40OSi
Molecular Weight300.60 g/mol
Exact Mass300.28
IUPAC Nametert-butyl-dodecan-2-yloxy-dimethylsilane
SMILESCCCCCCCCCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40OSi/c1-8-9-10-11-12-13-14-15-16-17(2)19-20(6,7)18(3,4)5/h17H,8-16H2,1-7H3
InChIKeyACCRWZLOQPMAKX-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.60
LogP ≤ 56.93
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 tert-butyl-dodecan-2-yloxy-dimethylsilane?
The IUPAC name of tert-butyl-dodecan-2-yloxy-dimethylsilane (CID 6430227) is tert-butyl-dodecan-2-yloxy-dimethylsilane.
What is the SMILES notation for tert-butyl-dodecan-2-yloxy-dimethylsilane?
The canonical SMILES for tert-butyl-dodecan-2-yloxy-dimethylsilane is CCCCCCCCCCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dodecan-2-yloxy-dimethylsilane?
The InChIKey is ACCRWZLOQPMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40OSi/c1-8-9-10-11-12-13-14-15-16-17(2)19-20(6,7)18(3,4)5/h17H,8-16H2,1-7H3.
What are the key properties of tert-butyl-dodecan-2-yloxy-dimethylsilane?
tert-butyl-dodecan-2-yloxy-dimethylsilane has a molecular weight of 300.60 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dodecan-2-yloxy-dimethylsilane is sourced from PubChem (CID 6430227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).