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

C13H24O3Si — CID 10848704

IUPACtert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane
SMILESC#CCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C13H24O3Si/c1-7-8-14-12(11-9-15-11)10-16-17(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyWQIXUMPCDLPARH-NEPJUHHUSA-N
MW256.42 g/mol
LogP2.43
Rot. Bonds6

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

tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane (PubChem CID 10848704) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane
PubChem CID10848704
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nametert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane
SMILESC#CCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C13H24O3Si/c1-7-8-14-12(11-9-15-11)10-16-17(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyWQIXUMPCDLPARH-NEPJUHHUSA-N
XLogP2.43
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tert-butyl-dimethyl-[[(2R,3R)-3-methyloxiran-2-yl]methoxy]silane
CID 11600881
(R)-tert-butyldimethyl(3-(oxiran-2-ylmethoxy)prop-1-yn-1-yl)silane
CID 91827330
(S)-tert-butyldimethyl(3-(oxiran-2-ylmethoxy)prop-1-yn-1-yl)silane
CID 91827338
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]ethoxy]silane
CID 11735835
(3-Methyloxiran-2-yl)methoxy-tri(propan-2-yl)silane
CID 14967380
Tert-butyl-dimethyl-[(3-methyl-3-prop-1-ynyloxiran-2-yl)methoxy]silane
CID 85145117
tert-butyl-dimethyl-[[(2S,3S)-3-methyloxiran-2-yl]methoxy]silane
CID 102097810
tert-butyl-[[(2S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134841832
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane
CID 134859795
tert-butyl-[[(2S,3R)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134860685
tert-butyl-[[(2S,3S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134860715
tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane
CID 135022962

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane (CID 10848704) is tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane is C#CCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane?
The InChIKey is WQIXUMPCDLPARH-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-8-14-12(11-9-15-11)10-16-17(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane?
tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane has a molecular weight of 256.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane is sourced from PubChem (CID 10848704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).