tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane

C13H26O2Si — CID 11064587

IUPACtert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
SMILESC=C[C@H]1O[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-11-12(15-11)9-8-10-14-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyADEGQOONRZWEFR-NEPJUHHUSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds6

About tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane

tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane (PubChem CID 11064587) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
PubChem CID11064587
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
SMILESC=C[C@H]1O[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-11-12(15-11)9-8-10-14-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyADEGQOONRZWEFR-NEPJUHHUSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10332001
tert-butyl-dimethyl-[(2R)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10705360
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 11564984
tert-butyl-dimethyl-[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 13895986
Tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane
CID 15632318
[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane
CID 134928457
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
trimethyl-[(E)-2-(3-propyloxiran-2-yl)ethenyl]silane
CID 59875218
Trimethyl-[2-(3-propyloxiran-2-yl)ethenyl]silane
CID 72584918
tert-butyl-[3-[(2R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 88485818

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane (CID 11064587) is tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane is C=C[C@H]1O[C@H]1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
The InChIKey is ADEGQOONRZWEFR-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-11-12(15-11)9-8-10-14-16(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-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 11064587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).