tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane

C13H26O2Si — CID 11096805

IUPACtert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-11-12(9-8-10-14-11)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyPFLKVBMHLMFJIS-NEPJUHHUSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds3

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

tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane (PubChem CID 11096805) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
PubChem CID11096805
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-11-12(9-8-10-14-11)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyPFLKVBMHLMFJIS-NEPJUHHUSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane
CID 16659016
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
CID 134842406
triethyl-[(E)-2-(oxan-2-yl)ethenyl]silane
CID 134944935

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane (CID 11096805) is tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane is C=C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is PFLKVBMHLMFJIS-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-11-12(9-8-10-14-11)15-16(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-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11096805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).