[(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate

C15H30O2SiSn — CID 11222981

IUPAC[(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OC[C@]1([Si](C)(C)C)C[C@@H]1[Sn](C)(C)C
InChIInChI=1S/C12H21O2Si.3CH3.Sn/c1-10(2)8-11(13)14-9-12(6-7-12)15(3,4)5;;;;/h6,8H,7,9H2,1-5H3;3*1H3;/t12-;;;;/m1..../s1
InChIKeyMHQKZHCVTUYMLG-HHUWXINPSA-N
MW389.20 g/mol
LogP4.69
Rot. Bonds5

About [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate

[(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate (PubChem CID 11222981) has the molecular formula C15H30O2SiSn and a molecular weight of 389.20 g/mol. Its IUPAC name is [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate.

Molecular Properties

Compound Name[(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate
PubChem CID11222981
Molecular FormulaC15H30O2SiSn
Molecular Weight389.20 g/mol
Exact Mass390.10
IUPAC Name[(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OC[C@]1([Si](C)(C)C)C[C@@H]1[Sn](C)(C)C
InChIInChI=1S/C12H21O2Si.3CH3.Sn/c1-10(2)8-11(13)14-9-12(6-7-12)15(3,4)5;;;;/h6,8H,7,9H2,1-5H3;3*1H3;/t12-;;;;/m1..../s1
InChIKeyMHQKZHCVTUYMLG-HHUWXINPSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate?
The IUPAC name of [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate (CID 11222981) is [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate.
What is the SMILES notation for [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate?
The canonical SMILES for [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate is CC(C)=CC(=O)OC[C@]1([Si](C)(C)C)C[C@@H]1[Sn](C)(C)C.
What is the InChIKey of [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate?
The InChIKey is MHQKZHCVTUYMLG-HHUWXINPSA-N. The full InChI is InChI=1S/C12H21O2Si.3CH3.Sn/c1-10(2)8-11(13)14-9-12(6-7-12)15(3,4)5;;;;/h6,8H,7,9H2,1-5H3;3*1H3;/t12-;;;;/m1..../s1.
What are the key properties of [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate?
[(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate has a molecular weight of 389.20 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-trimethylsilyl-2-trimethylstannylcyclopropyl]methyl 3-methylbut-2-enoate is sourced from PubChem (CID 11222981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).