[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol

C12H26O3Si — CID 54597457

IUPAC[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C12H26O3Si/c1-9(11-10(7-13)15-11)8-14-16(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9-,10+,11+/m0/s1
InChIKeyRNHRVUYVMFKFAM-HBNTYKKESA-N
MW246.42 g/mol
LogP2.40
Rot. Bonds5

About [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol

[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol (PubChem CID 54597457) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
PubChem CID54597457
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C12H26O3Si/c1-9(11-10(7-13)15-11)8-14-16(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9-,10+,11+/m0/s1
InChIKeyRNHRVUYVMFKFAM-HBNTYKKESA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methanol
CID 11665702
[(2R,3S)-3-{[(tert-butyldimethylsilyl)oxy]methyl}oxiran-2-yl]methanol
CID 11715506
[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methanol
CID 13841130
1-[Tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol
CID 59365078
(2R,3R)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11023066
[(2R,3R)-3-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2-oxiranyl]methanol
CID 11127759
(2R,3R,4R)-2,3-Epoxy-4,5-bis(triisopropylsiloxy)-2-methylpent-1-ol
CID 11224982
(2R,3R)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11358562
[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol
CID 11811835
(2R,3S)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 12061955
[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol
CID 14336220
3-(3-Methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 14967405

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol (CID 54597457) is [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
The InChIKey is RNHRVUYVMFKFAM-HBNTYKKESA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(11-10(7-13)15-11)8-14-16(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9-,10+,11+/m0/s1.
What are the key properties of [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol has a molecular weight of 246.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 54597457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).