tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane

C15H24O2Si — CID 11149748

IUPACtert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)16-11-13-14(17-13)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14-/m0/s1
InChIKeyWXMODQFAOXORTP-KBPBESRZSA-N
MW264.44 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane (PubChem CID 11149748) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane
PubChem CID11149748
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Nametert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)16-11-13-14(17-13)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14-/m0/s1
InChIKeyWXMODQFAOXORTP-KBPBESRZSA-N
XLogP4.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane (CID 11149748) is tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane?
The InChIKey is WXMODQFAOXORTP-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)16-11-13-14(17-13)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane has a molecular weight of 264.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,3S)-3-phenyloxiran-2-yl]methoxy]silane is sourced from PubChem (CID 11149748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).