trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate

C14H20O2Si — CID 44612781

IUPACtrans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1([Si](C)(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-16-13(15)14(17(2,3)4)10-12(14)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/t12-,14+/m1/s1
InChIKeyFCHOMGISYKDBJL-OCCSQVGLSA-N
MW248.40 g/mol
LogP3.43
Rot. Bonds3

About trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate

trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate (PubChem CID 44612781) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
PubChem CID44612781
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Nametrans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1([Si](C)(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-16-13(15)14(17(2,3)4)10-12(14)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/t12-,14+/m1/s1
InChIKeyFCHOMGISYKDBJL-OCCSQVGLSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate (CID 44612781) is trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate is COC(=O)[C@]1([Si](C)(C)C)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate?
The InChIKey is FCHOMGISYKDBJL-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-16-13(15)14(17(2,3)4)10-12(14)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate?
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate has a molecular weight of 248.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate is sourced from PubChem (CID 44612781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).