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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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).