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

C19H36O4Si — CID 11046515

IUPACtert-butyl (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)(C)C)[C@H](C)[C@@H]1OCC
InChIInChI=1S/C19H36O4Si/c1-12-21-15-13(2)19(15,16(20)22-17(4,5)6)14(3)23-24(10,11)18(7,8)9/h13,15H,3,12H2,1-2,4-11H3/t13-,15+,19-/m1/s1
InChIKeyXITUQKAFABZPRZ-FRIZHTMISA-N
MW356.58 g/mol
LogP4.90
Rot. Bonds6

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

tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate (PubChem CID 11046515) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate
PubChem CID11046515
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Nametert-butyl (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)(C)C)[C@H](C)[C@@H]1OCC
InChIInChI=1S/C19H36O4Si/c1-12-21-15-13(2)19(15,16(20)22-17(4,5)6)14(3)23-24(10,11)18(7,8)9/h13,15H,3,12H2,1-2,4-11H3/t13-,15+,19-/m1/s1
InChIKeyXITUQKAFABZPRZ-FRIZHTMISA-N
XLogP4.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.90
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

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate
CID 10597804
cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate
CID 10616286
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
CID 10781443
methyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate
CID 10829108

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate (CID 11046515) is tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl (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)(C)C)[C@H](C)[C@@H]1OCC.
What is the InChIKey of tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
The InChIKey is XITUQKAFABZPRZ-FRIZHTMISA-N. The full InChI is InChI=1S/C19H36O4Si/c1-12-21-15-13(2)19(15,16(20)22-17(4,5)6)14(3)23-24(10,11)18(7,8)9/h13,15H,3,12H2,1-2,4-11H3/t13-,15+,19-/m1/s1.
What are the key properties of tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate?
tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate has a molecular weight of 356.58 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 11046515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).