tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane

C15H30O3Si — CID 16659016

IUPACtert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane
SMILESC=CCOC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-7-10-16-12-14-13(9-8-11-17-14)18-19(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m1/s1
InChIKeyYQVRSTQJLKTODV-ZIAGYGMSSA-N
MW286.49 g/mol
LogP3.76
Rot. Bonds6

About tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane

tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane (PubChem CID 16659016) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane
PubChem CID16659016
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nametert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane
SMILESC=CCOC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-7-10-16-12-14-13(9-8-11-17-14)18-19(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m1/s1
InChIKeyYQVRSTQJLKTODV-ZIAGYGMSSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
tert-butyl-[(2S,3R,5S)-2-ethenyl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848918
tert-butyl-[(2S)-2-ethenyl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 67885103
tert-butyl-[(2S,3R,5R)-2-ethenyl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 67885378
2,2-Dimethyl-6-(1-prop-2-enoxypropyl)oxasilinane
CID 67914695
1,1,2-Trimethoxy-3-prop-2-enoxy-2-propylsilinane
CID 174492175
2-Butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane
CID 174537889
tert-butyl-dimethyl-[(2R,3S)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane
CID 10827097
tert-butyl-dimethyl-[[(2R,3S)-3-prop-2-enoxyoxan-2-yl]methoxy]silane
CID 10827098
tert-butyl-[(2S,3R)-2-[(E)-2-iodoethenyl]oxan-3-yl]oxy-dimethylsilane
CID 11111365

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane (CID 16659016) is tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane is C=CCOC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane?
The InChIKey is YQVRSTQJLKTODV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-10-16-12-14-13(9-8-11-17-14)18-19(5,6)15(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane has a molecular weight of 286.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane is sourced from PubChem (CID 16659016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).