tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane

C17H28OSi — CID 101214216

IUPACtert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H28OSi/c1-13(18-19(5,6)17(2,3)4)15-12-16(15)14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t13-,15-,16-/m0/s1
InChIKeyZQYLZLKLSDINHM-BPUTZDHNSA-N
MW276.50 g/mol
LogP5.20
Rot. Bonds4

About tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane (PubChem CID 101214216) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane
PubChem CID101214216
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H28OSi/c1-13(18-19(5,6)17(2,3)4)15-12-16(15)14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t13-,15-,16-/m0/s1
InChIKeyZQYLZLKLSDINHM-BPUTZDHNSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane (CID 101214216) is tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
The InChIKey is ZQYLZLKLSDINHM-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H28OSi/c1-13(18-19(5,6)17(2,3)4)15-12-16(15)14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t13-,15-,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane has a molecular weight of 276.50 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-[(1R,2R)-2-phenylcyclopropyl]ethoxy]silane is sourced from PubChem (CID 101214216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).