trimethylsilyl (2S)-2-trimethylsilyloxypropanoate

C9H22O3Si2 — CID 12642213

IUPACtrimethylsilyl (2S)-2-trimethylsilyloxypropanoate
SMILESC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H22O3Si2/c1-8(11-13(2,3)4)9(10)12-14(5,6)7/h8H,1-7H3/t8-/m0/s1
InChIKeyHXRGKEOWDNVHPA-QMMMGPOBSA-N
MW234.44 g/mol
LogP2.60
Rot. Bonds4

About trimethylsilyl (2S)-2-trimethylsilyloxypropanoate

trimethylsilyl (2S)-2-trimethylsilyloxypropanoate (PubChem CID 12642213) has the molecular formula C9H22O3Si2 and a molecular weight of 234.44 g/mol. Its IUPAC name is trimethylsilyl (2S)-2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-2-trimethylsilyloxypropanoate
PubChem CID12642213
Molecular FormulaC9H22O3Si2
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Nametrimethylsilyl (2S)-2-trimethylsilyloxypropanoate
SMILESC[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H22O3Si2/c1-8(11-13(2,3)4)9(10)12-14(5,6)7/h8H,1-7H3/t8-/m0/s1
InChIKeyHXRGKEOWDNVHPA-QMMMGPOBSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 52.60
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 trimethylsilyl (2S)-2-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl (2S)-2-trimethylsilyloxypropanoate (CID 12642213) is trimethylsilyl (2S)-2-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl (2S)-2-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl (2S)-2-trimethylsilyloxypropanoate is C[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S)-2-trimethylsilyloxypropanoate?
The InChIKey is HXRGKEOWDNVHPA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H22O3Si2/c1-8(11-13(2,3)4)9(10)12-14(5,6)7/h8H,1-7H3/t8-/m0/s1.
What are the key properties of trimethylsilyl (2S)-2-trimethylsilyloxypropanoate?
trimethylsilyl (2S)-2-trimethylsilyloxypropanoate has a molecular weight of 234.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-2-trimethylsilyloxypropanoate is sourced from PubChem (CID 12642213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).