[(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate

C12H24O3Si — CID 10955807

IUPAC[(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
SMILESC=C(O[Si](C)(C)C)[C@H](C)OC(=O)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(10(2)15-16(6,7)8)14-11(13)12(3,4)5/h9H,2H2,1,3-8H3/t9-/m0/s1
InChIKeyUXQMQLDYWUUQEK-VIFPVBQESA-N
MW244.41 g/mol
LogP3.33
Rot. Bonds4

About [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate

[(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate (PubChem CID 10955807) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
PubChem CID10955807
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
SMILESC=C(O[Si](C)(C)C)[C@H](C)OC(=O)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(10(2)15-16(6,7)8)14-11(13)12(3,4)5/h9H,2H2,1,3-8H3/t9-/m0/s1
InChIKeyUXQMQLDYWUUQEK-VIFPVBQESA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate (CID 10955807) is [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate is C=C(O[Si](C)(C)C)[C@H](C)OC(=O)C(C)(C)C.
What is the InChIKey of [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The InChIKey is UXQMQLDYWUUQEK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(10(2)15-16(6,7)8)14-11(13)12(3,4)5/h9H,2H2,1,3-8H3/t9-/m0/s1.
What are the key properties of [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
[(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate has a molecular weight of 244.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10955807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).