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

C12H26O3Si — CID 56946449

IUPAC[(2S,3R)-3-[(2R)-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-/m1/s1
InChIKeyRNHRVUYVMFKFAM-OUAUKWLOSA-N
MW246.42 g/mol
LogP2.40
Rot. Bonds5

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

[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol (PubChem CID 56946449) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
PubChem CID56946449
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(2S,3R)-3-[(2R)-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-/m1/s1
InChIKeyRNHRVUYVMFKFAM-OUAUKWLOSA-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'}

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 72993760
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane
CID 11185456
[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol
CID 53391687
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol (CID 56946449) is [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-[(2R)-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 [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
The InChIKey is RNHRVUYVMFKFAM-OUAUKWLOSA-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-/m1/s1.
What are the key properties of [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol?
[(2S,3R)-3-[(2R)-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 [(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 56946449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).