tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane

C13H24O2Si — CID 10444333

IUPACtert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane
SMILESCC#C[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-8-9-13(5)11(15-13)10-14-16(6,7)12(2,3)4/h11H,10H2,1-7H3/t11-,13-/m1/s1
InChIKeyIKTAEWUIMOKAEV-DGCLKSJQSA-N
MW240.42 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane (PubChem CID 10444333) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane
PubChem CID10444333
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane
SMILESCC#C[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-8-9-13(5)11(15-13)10-14-16(6,7)12(2,3)4/h11H,10H2,1-7H3/t11-,13-/m1/s1
InChIKeyIKTAEWUIMOKAEV-DGCLKSJQSA-N
XLogP3.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.19
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane (CID 10444333) is tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane is CC#C[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane?
The InChIKey is IKTAEWUIMOKAEV-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-8-9-13(5)11(15-13)10-14-16(6,7)12(2,3)4/h11H,10H2,1-7H3/t11-,13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane has a molecular weight of 240.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-prop-1-ynyloxiran-2-yl]methoxy]silane is sourced from PubChem (CID 10444333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).