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

C13H26O3Si — CID 10634976

IUPACtert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane
SMILESC=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C13H26O3Si/c1-7-8-14-12(11-9-15-11)10-16-17(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyNRISPEHVGBHHKA-NEPJUHHUSA-N
MW258.43 g/mol
LogP2.98
Rot. Bonds7

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

tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane (PubChem CID 10634976) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane
PubChem CID10634976
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nametert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane
SMILESC=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C13H26O3Si/c1-7-8-14-12(11-9-15-11)10-16-17(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyNRISPEHVGBHHKA-NEPJUHHUSA-N
XLogP2.98
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tert-butyl-[[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11160538
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
Trimethyl-(1-prop-2-enoxy-4-trimethylsilyloxybutan-2-yl)oxysilane
CID 135070729
tert-butyl-[[(2R,3R)-3-ethenyloxiran-2-yl]methoxy]-dimethylsilane
CID 11206675
Tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane
CID 15191106
Ethyl-dimethyl-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxysilane
CID 58958851
tert-butyl-[[(2R,3S)-3-ethenyloxiran-2-yl]methoxy]-dimethylsilane
CID 59482156
Trimethoxy-[2-(oxiran-2-ylmethoxy)but-3-enyl]silane
CID 89654278
trimethoxy-[(E)-1-(oxiran-2-ylmethoxy)but-2-enyl]silane
CID 89654300
Trimethoxy-[1-(oxiran-2-ylmethoxy)prop-2-enyl]silane
CID 89654354
triethoxy-[(E)-1-(oxiran-2-ylmethoxy)but-2-enyl]silane
CID 89654396

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane (CID 10634976) is tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]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-enoxyethoxy]silane?
The InChIKey is NRISPEHVGBHHKA-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-7-8-14-12(11-9-15-11)10-16-17(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane?
tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane has a molecular weight of 258.43 g/mol, XLogP of 2.98, 7 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-enoxyethoxy]silane is sourced from PubChem (CID 10634976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).