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

C12H26O3Si — CID 134842022

IUPAC[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H]1O[C@H]1CO
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)14-8-6-7-10-11(9-13)15-10/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyAAIRAWKDONSWEP-QWRGUYRKSA-N
MW246.42 g/mol
LogP2.55
Rot. Bonds6

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

[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol (PubChem CID 134842022) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol
PubChem CID134842022
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H]1O[C@H]1CO
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)14-8-6-7-10-11(9-13)15-10/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyAAIRAWKDONSWEP-QWRGUYRKSA-N
XLogP2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 10890219
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 11322576
[(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,3S)-2-{[(tert-butyldimethylsilyl)oxy]methyl}oxan-3-ol
CID 15785525
[(2R,3R)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10881697
[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol
CID 10932545
(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)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11358562

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol (CID 134842022) is [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol is CC(C)(C)[Si](C)(C)OCCC[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol?
The InChIKey is AAIRAWKDONSWEP-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)14-8-6-7-10-11(9-13)15-10/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol has a molecular weight of 246.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol is sourced from PubChem (CID 134842022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).