tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane

C16H32O3Si — CID 54768207

IUPACtert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-10-13-14(18-16(6,7)17-13)11-12(2)19-20(8,9)15(3,4)5/h10,12-14H,1,11H2,2-9H3/t12-,13+,14-/m1/s1
InChIKeyPQTWQYKHOILLJH-HZSPNIEDSA-N
MW300.51 g/mol
LogP4.49
Rot. Bonds5

About tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane (PubChem CID 54768207) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
PubChem CID54768207
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-10-13-14(18-16(6,7)17-13)11-12(2)19-20(8,9)15(3,4)5/h10,12-14H,1,11H2,2-9H3/t12-,13+,14-/m1/s1
InChIKeyPQTWQYKHOILLJH-HZSPNIEDSA-N
XLogP4.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane (CID 54768207) is tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane is C=C[C@@H]1OC(C)(C)O[C@@H]1C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The InChIKey is PQTWQYKHOILLJH-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-10-13-14(18-16(6,7)17-13)11-12(2)19-20(8,9)15(3,4)5/h10,12-14H,1,11H2,2-9H3/t12-,13+,14-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane has a molecular weight of 300.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 54768207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).