tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate

C16H32O4Si — CID 102333176

IUPACtert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
SMILESC=C(C[C@@H](C)OC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(18-14(17)19-15(3,4)5)11-13(2)20-21(9,10)16(6,7)8/h12H,2,11H2,1,3-10H3/t12-/m1/s1
InChIKeyWICMWCWQMGBQNY-GFCCVEGCSA-N
MW316.51 g/mol
LogP5.25
Rot. Bonds5

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

tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate (PubChem CID 102333176) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
PubChem CID102333176
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nametert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
SMILESC=C(C[C@@H](C)OC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(18-14(17)19-15(3,4)5)11-13(2)20-21(9,10)16(6,7)8/h12H,2,11H2,1,3-10H3/t12-/m1/s1
InChIKeyWICMWCWQMGBQNY-GFCCVEGCSA-N
XLogP5.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
Tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate
CID 135003004
tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate
CID 11823717
tert-butyl [(2S)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
CID 102333177

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate?
The IUPAC name of tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate (CID 102333176) is tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate.
What is the SMILES notation for tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate?
The canonical SMILES for tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate is C=C(C[C@@H](C)OC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate?
The InChIKey is WICMWCWQMGBQNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-12(18-14(17)19-15(3,4)5)11-13(2)20-21(9,10)16(6,7)8/h12H,2,11H2,1,3-10H3/t12-/m1/s1.
What are the key properties of tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate?
tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate has a molecular weight of 316.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate is sourced from PubChem (CID 102333176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).