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

C18H26O4Si — CID 11209840

IUPACmethyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)O[C@H]1c1ccccc1
InChIInChI=1S/C18H26O4Si/c1-13(22-23(6,7)17(2,3)4)18(16(19)20-5)15(21-18)14-11-9-8-10-12-14/h8-12,15H,1H2,2-7H3/t15-,18-/m0/s1
InChIKeyDTOMAQKINLMKCS-YJBOKZPZSA-N
MW334.49 g/mol
LogP4.21
Rot. Bonds5

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

methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate (PubChem CID 11209840) has the molecular formula C18H26O4Si and a molecular weight of 334.49 g/mol. Its IUPAC name is methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate
PubChem CID11209840
Molecular FormulaC18H26O4Si
Molecular Weight334.49 g/mol
Exact Mass334.16
IUPAC Namemethyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)O[C@H]1c1ccccc1
InChIInChI=1S/C18H26O4Si/c1-13(22-23(6,7)17(2,3)4)18(16(19)20-5)15(21-18)14-11-9-8-10-12-14/h8-12,15H,1H2,2-7H3/t15-,18-/m0/s1
InChIKeyDTOMAQKINLMKCS-YJBOKZPZSA-N
XLogP4.21
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.21
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate?
The IUPAC name of methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate (CID 11209840) is methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate is C=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)O[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate?
The InChIKey is DTOMAQKINLMKCS-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H26O4Si/c1-13(22-23(6,7)17(2,3)4)18(16(19)20-5)15(21-18)14-11-9-8-10-12-14/h8-12,15H,1H2,2-7H3/t15-,18-/m0/s1.
What are the key properties of methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate?
methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate has a molecular weight of 334.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-phenyloxirane-2-carboxylate is sourced from PubChem (CID 11209840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).