methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate

C16H30O4Si — CID 10829108

IUPACmethyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)[C@H](C)[C@@H]1OCC
InChIInChI=1S/C16H30O4Si/c1-10-19-13-11(2)16(13,14(17)18-7)12(3)20-21(8,9)15(4,5)6/h11,13H,3,10H2,1-2,4-9H3/t11-,13+,16-/m1/s1
InChIKeyXZAOXTCVZUAFIV-PVXIVEMSSA-N
MW314.50 g/mol
LogP3.74
Rot. Bonds6

About methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate

methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate (PubChem CID 10829108) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate
PubChem CID10829108
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namemethyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)[C@H](C)[C@@H]1OCC
InChIInChI=1S/C16H30O4Si/c1-10-19-13-11(2)16(13,14(17)18-7)12(3)20-21(8,9)15(4,5)6/h11,13H,3,10H2,1-2,4-9H3/t11-,13+,16-/m1/s1
InChIKeyXZAOXTCVZUAFIV-PVXIVEMSSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate (CID 10829108) is methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate is C=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)[C@H](C)[C@@H]1OCC.
What is the InChIKey of methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
The InChIKey is XZAOXTCVZUAFIV-PVXIVEMSSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-10-19-13-11(2)16(13,14(17)18-7)12(3)20-21(8,9)15(4,5)6/h11,13H,3,10H2,1-2,4-9H3/t11-,13+,16-/m1/s1.
What are the key properties of methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate has a molecular weight of 314.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 10829108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).