methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

C17H24O3Si — CID 10685962

IUPACmethyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](/C=C/[Si](C)(C)C)[C@@H]1c1ccccc1OC
InChIInChI=1S/C17H24O3Si/c1-19-14-9-7-6-8-12(14)15-13(10-11-21(3,4)5)16(15)17(18)20-2/h6-11,13,15-16H,1-5H3/b11-10+/t13-,15+,16+/m1/s1
InChIKeyFOTFOUGJDIDMBL-MRQJWXRISA-N
MW304.46 g/mol
LogP3.63
Rot. Bonds5

About methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (PubChem CID 10685962) has the molecular formula C17H24O3Si and a molecular weight of 304.46 g/mol. Its IUPAC name is methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
PubChem CID10685962
Molecular FormulaC17H24O3Si
Molecular Weight304.46 g/mol
Exact Mass304.15
IUPAC Namemethyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](/C=C/[Si](C)(C)C)[C@@H]1c1ccccc1OC
InChIInChI=1S/C17H24O3Si/c1-19-14-9-7-6-8-12(14)15-13(10-11-21(3,4)5)16(15)17(18)20-2/h6-11,13,15-16H,1-5H3/b11-10+/t13-,15+,16+/m1/s1
InChIKeyFOTFOUGJDIDMBL-MRQJWXRISA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (CID 10685962) is methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is COC(=O)[C@H]1[C@H](/C=C/[Si](C)(C)C)[C@@H]1c1ccccc1OC.
What is the InChIKey of methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The InChIKey is FOTFOUGJDIDMBL-MRQJWXRISA-N. The full InChI is InChI=1S/C17H24O3Si/c1-19-14-9-7-6-8-12(14)15-13(10-11-21(3,4)5)16(15)17(18)20-2/h6-11,13,15-16H,1-5H3/b11-10+/t13-,15+,16+/m1/s1.
What are the key properties of methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate has a molecular weight of 304.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10685962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).