methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

C17H24O2Si — CID 10637132

IUPACmethyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](/C=C/[Si](C)(C)C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C17H24O2Si/c1-12-6-8-13(9-7-12)15-14(10-11-20(3,4)5)16(15)17(18)19-2/h6-11,14-16H,1-5H3/b11-10+/t14-,15+,16+/m1/s1
InChIKeyJVBHNMGTXHDPGY-WHVDOQMCSA-N
MW288.46 g/mol
LogP3.93
Rot. Bonds4

About methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (PubChem CID 10637132) has the molecular formula C17H24O2Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
PubChem CID10637132
Molecular FormulaC17H24O2Si
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Namemethyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](/C=C/[Si](C)(C)C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C17H24O2Si/c1-12-6-8-13(9-7-12)15-14(10-11-20(3,4)5)16(15)17(18)19-2/h6-11,14-16H,1-5H3/b11-10+/t14-,15+,16+/m1/s1
InChIKeyJVBHNMGTXHDPGY-WHVDOQMCSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.93
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 methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (CID 10637132) is methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is COC(=O)[C@H]1[C@H](/C=C/[Si](C)(C)C)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The InChIKey is JVBHNMGTXHDPGY-WHVDOQMCSA-N. The full InChI is InChI=1S/C17H24O2Si/c1-12-6-8-13(9-7-12)15-14(10-11-20(3,4)5)16(15)17(18)19-2/h6-11,14-16H,1-5H3/b11-10+/t14-,15+,16+/m1/s1.
What are the key properties of methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate has a molecular weight of 288.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10637132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).