tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane

C19H44O2Si2 — CID 135018115

IUPACtert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane
SMILESCCC(CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O2Si2/c1-12-17(21-23(10,11)19(5,6)7)15-13-14-16-20-22(8,9)18(2,3)4/h17H,12-16H2,1-11H3
InChIKeyMFWAJHOJMBUXJM-UHFFFAOYSA-N
MW360.73 g/mol
LogP6.98
Rot. Bonds9

About tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane

tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane (PubChem CID 135018115) has the molecular formula C19H44O2Si2 and a molecular weight of 360.73 g/mol. Its IUPAC name is tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane
PubChem CID135018115
Molecular FormulaC19H44O2Si2
Molecular Weight360.73 g/mol
Exact Mass360.29
IUPAC Nametert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane
SMILESCCC(CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O2Si2/c1-12-17(21-23(10,11)19(5,6)7)15-13-14-16-20-22(8,9)18(2,3)4/h17H,12-16H2,1-11H3
InChIKeyMFWAJHOJMBUXJM-UHFFFAOYSA-N
XLogP6.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.73
LogP ≤ 56.98
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-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-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-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane (CID 135018115) is tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane is CCC(CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane?
The InChIKey is MFWAJHOJMBUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44O2Si2/c1-12-17(21-23(10,11)19(5,6)7)15-13-14-16-20-22(8,9)18(2,3)4/h17H,12-16H2,1-11H3.
What are the key properties of tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane?
tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane has a molecular weight of 360.73 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyheptan-3-yloxy]-dimethylsilane is sourced from PubChem (CID 135018115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).