[(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol

C13H28O3Si — CID 15605934

IUPAC[(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)15-9-7-6-8-11-12(10-14)16-11/h11-12,14H,6-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyIGOJQDLQJJPACI-VXGBXAGGSA-N
MW260.45 g/mol
LogP2.94
Rot. Bonds7

About [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol

[(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol (PubChem CID 15605934) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol
PubChem CID15605934
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name[(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)15-9-7-6-8-11-12(10-14)16-11/h11-12,14H,6-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyIGOJQDLQJJPACI-VXGBXAGGSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.94
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'}

Analyze [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol with MolForge

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Related Compounds

1-(3-Trimethylsilyloxiran-2-yl)hexan-1-ol
CID 14194983
(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol
CID 14194986
(2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol
CID 10661050
[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol
CID 10932545
[(2R,3R)-3-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]oxiran-2-yl]methanol
CID 11811227
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxepan-3-ol
CID 12190829
(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxepan-3-ol
CID 12190831
[(2S,3S)-3-pentyl-2-trimethylsilyloxiran-2-yl]methanol
CID 13694672
(1S)-1-[(2S,3S)-3-pentyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
CID 13694684
[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
CID 46933875
[(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 102172703
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-oxiran-2-yl]butan-1-ol
CID 121003705

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol (CID 15605934) is [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol is CC(C)(C)[Si](C)(C)OCCCC[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol?
The InChIKey is IGOJQDLQJJPACI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)15-9-7-6-8-11-12(10-14)16-11/h11-12,14H,6-10H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol?
[(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol has a molecular weight of 260.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]methanol is sourced from PubChem (CID 15605934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).