tert-butyl-(10-methoxyundecoxy)-dimethylsilane

C18H40O2Si — CID 102217951

IUPACtert-butyl-(10-methoxyundecoxy)-dimethylsilane
SMILESCOC(C)CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-17(19-5)15-13-11-9-8-10-12-14-16-20-21(6,7)18(2,3)4/h17H,8-16H2,1-7H3
InChIKeyWJNPFAGHLXKFBL-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.16
Rot. Bonds12

About tert-butyl-(10-methoxyundecoxy)-dimethylsilane

tert-butyl-(10-methoxyundecoxy)-dimethylsilane (PubChem CID 102217951) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is tert-butyl-(10-methoxyundecoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(10-methoxyundecoxy)-dimethylsilane
PubChem CID102217951
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Nametert-butyl-(10-methoxyundecoxy)-dimethylsilane
SMILESCOC(C)CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-17(19-5)15-13-11-9-8-10-12-14-16-20-21(6,7)18(2,3)4/h17H,8-16H2,1-7H3
InChIKeyWJNPFAGHLXKFBL-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-(10-methoxyundecoxy)-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(10-methoxyundecoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(10-methoxyundecoxy)-dimethylsilane (CID 102217951) is tert-butyl-(10-methoxyundecoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(10-methoxyundecoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(10-methoxyundecoxy)-dimethylsilane is COC(C)CCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(10-methoxyundecoxy)-dimethylsilane?
The InChIKey is WJNPFAGHLXKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-17(19-5)15-13-11-9-8-10-12-14-16-20-21(6,7)18(2,3)4/h17H,8-16H2,1-7H3.
What are the key properties of tert-butyl-(10-methoxyundecoxy)-dimethylsilane?
tert-butyl-(10-methoxyundecoxy)-dimethylsilane has a molecular weight of 316.60 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(10-methoxyundecoxy)-dimethylsilane is sourced from PubChem (CID 102217951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).