tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane

C12H26O2Si — CID 11053443

IUPACtert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane
SMILESC[C@@H](C[C@]1(C)CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-12(5)9-13-12)14-15(6,7)11(2,3)4/h10H,8-9H2,1-7H3/t10-,12+/m0/s1
InChIKeyNQRGOZNGPPFSGZ-CMPLNLGQSA-N
MW230.42 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane (PubChem CID 11053443) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane
PubChem CID11053443
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane
SMILESC[C@@H](C[C@]1(C)CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-12(5)9-13-12)14-15(6,7)11(2,3)4/h10H,8-9H2,1-7H3/t10-,12+/m0/s1
InChIKeyNQRGOZNGPPFSGZ-CMPLNLGQSA-N
XLogP3.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.58
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)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane (CID 11053443) is tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane is C[C@@H](C[C@]1(C)CO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane?
The InChIKey is NQRGOZNGPPFSGZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(8-12(5)9-13-12)14-15(6,7)11(2,3)4/h10H,8-9H2,1-7H3/t10-,12+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane has a molecular weight of 230.42 g/mol, XLogP of 3.58, 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)-1-[(2R)-2-methyloxiran-2-yl]propan-2-yl]oxysilane is sourced from PubChem (CID 11053443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).