[(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate

C12H26O4Si — CID 163289902

IUPAC[(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESC[C@H](O)COC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-9(13)8-15-11(14)10(2)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10-/m0/s1
InChIKeyKSFRLQPKVUJQBZ-UWVGGRQHSA-N
MW262.42 g/mol
LogP2.32
Rot. Bonds5

About [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate

[(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate (PubChem CID 163289902) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate.

Molecular Properties

Compound Name[(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
PubChem CID163289902
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name[(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESC[C@H](O)COC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-9(13)8-15-11(14)10(2)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10-/m0/s1
InChIKeyKSFRLQPKVUJQBZ-UWVGGRQHSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The IUPAC name of [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate (CID 163289902) is [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate.
What is the SMILES notation for [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The canonical SMILES for [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate is C[C@H](O)COC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The InChIKey is KSFRLQPKVUJQBZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-9(13)8-15-11(14)10(2)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10-/m0/s1.
What are the key properties of [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
[(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate has a molecular weight of 262.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate is sourced from PubChem (CID 163289902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).