tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane

C13H26O2Si — CID 10514330

IUPACtert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1O[C@H]1C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11-12(14-11)9-10(2)15-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11+,12+/m1/s1
InChIKeyJOMJYDAHAIWAGD-WOPDTQHZSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane (PubChem CID 10514330) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane
PubChem CID10514330
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1O[C@H]1C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11-12(14-11)9-10(2)15-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11+,12+/m1/s1
InChIKeyJOMJYDAHAIWAGD-WOPDTQHZSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': '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
[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane
CID 10954921
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-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
tert-butyl-dimethyl-[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 13895986
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
Tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
CID 73115515
[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane
CID 134928457
tert-butyl-[[(2R,3R)-3-ethenyloxiran-2-yl]methoxy]-dimethylsilane
CID 11206675

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane (CID 10514330) is tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane is C=C[C@@H]1O[C@H]1C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane?
The InChIKey is JOMJYDAHAIWAGD-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-11-12(14-11)9-10(2)15-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11+,12+/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10514330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).