1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol

C13H28O2Si — CID 134901078

IUPAC1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
SMILESCCCC(O)[C@]1([Si](C)(C)C)O[C@@H]1C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-10(14)13(16(5,6)7)11(15-13)12(2,3)4/h10-11,14H,8-9H2,1-7H3/t10?,11-,13-/m1/s1
InChIKeyOIERLYFLVRIINE-LIXJUXSLSA-N
MW244.45 g/mol
LogP3.21
Rot. Bonds4

About 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol

1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol (PubChem CID 134901078) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
PubChem CID134901078
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
SMILESCCCC(O)[C@]1([Si](C)(C)C)O[C@@H]1C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-10(14)13(16(5,6)7)11(15-13)12(2,3)4/h10-11,14H,8-9H2,1-7H3/t10?,11-,13-/m1/s1
InChIKeyOIERLYFLVRIINE-LIXJUXSLSA-N
XLogP3.21
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
The IUPAC name of 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol (CID 134901078) is 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol.
What is the SMILES notation for 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
The canonical SMILES for 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol is CCCC(O)[C@]1([Si](C)(C)C)O[C@@H]1C(C)(C)C.
What is the InChIKey of 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
The InChIKey is OIERLYFLVRIINE-LIXJUXSLSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-9-10(14)13(16(5,6)7)11(15-13)12(2,3)4/h10-11,14H,8-9H2,1-7H3/t10?,11-,13-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol is sourced from PubChem (CID 134901078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).