tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane

C17H30O2Si — CID 134866486

IUPACtert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane
SMILESC[C@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-15(19-20(5,6)17(2,3)4)12-13-18-14-16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m1/s1
InChIKeyAACISHFVJLCGCT-OAHLLOKOSA-N
MW294.51 g/mol
LogP5.00
Rot. Bonds7

About tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane

tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane (PubChem CID 134866486) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane
PubChem CID134866486
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nametert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane
SMILESC[C@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-15(19-20(5,6)17(2,3)4)12-13-18-14-16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m1/s1
InChIKeyAACISHFVJLCGCT-OAHLLOKOSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.00
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane (CID 134866486) is tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane is C[C@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane?
The InChIKey is AACISHFVJLCGCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-15(19-20(5,6)17(2,3)4)12-13-18-14-16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane has a molecular weight of 294.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane is sourced from PubChem (CID 134866486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).