tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane

C11H22O2Si — CID 10976828

IUPACtert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C11H22O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10+/m0/s1
InChIKeyHUYOMVHCTHMOBH-VHSXEESVSA-N
MW214.38 g/mol
LogP2.96
Rot. Bonds4

About tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane (PubChem CID 10976828) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
PubChem CID10976828
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C11H22O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10+/m0/s1
InChIKeyHUYOMVHCTHMOBH-VHSXEESVSA-N
XLogP2.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane (CID 10976828) is tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane?
The InChIKey is HUYOMVHCTHMOBH-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane has a molecular weight of 214.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane is sourced from PubChem (CID 10976828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).