tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate

C17H34O4Si — CID 11823717

IUPACtert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate
SMILESC=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-13(2)11-14(20-15(18)21-16(3,4)5)12-19-22(9,10)17(6,7)8/h14H,1,11-12H2,2-10H3/t14-/m1/s1
InChIKeyGLLCZTVEFXZAFA-CQSZACIVSA-N
MW330.54 g/mol
LogP5.29
Rot. Bonds6

About tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate

tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate (PubChem CID 11823717) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate
PubChem CID11823717
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate
SMILESC=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-13(2)11-14(20-15(18)21-16(3,4)5)12-19-22(9,10)17(6,7)8/h14H,1,11-12H2,2-10H3/t14-/m1/s1
InChIKeyGLLCZTVEFXZAFA-CQSZACIVSA-N
XLogP5.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate
CID 11717171
[(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate
CID 24938969
tert-butyl-[(Z,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane
CID 11786335
Tert-butyl-dimethyl-[1-(2-trimethylsilylethoxymethoxy)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxysilane
CID 101952471
tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
CID 102333176
tert-butyl [(2S)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
CID 102333177
tert-butyl-[(E,2S)-2-(methoxymethoxy)-4-methyl-5-tributylstannylpent-4-enoxy]-dimethylsilane
CID 177611968

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate?
The IUPAC name of tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate (CID 11823717) is tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate.
What is the SMILES notation for tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate?
The canonical SMILES for tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate is C=C(C)C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate?
The InChIKey is GLLCZTVEFXZAFA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-13(2)11-14(20-15(18)21-16(3,4)5)12-19-22(9,10)17(6,7)8/h14H,1,11-12H2,2-10H3/t14-/m1/s1.
What are the key properties of tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate?
tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate has a molecular weight of 330.54 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate is sourced from PubChem (CID 11823717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).