[(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane

C9H20OSi — CID 131844850

IUPAC[(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane
SMILESCC(C)(C)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(2,3)7-8(10-7)11(4,5)6/h7-8H,1-6H3/t7-,8+/m1/s1
InChIKeyLOJGMFDGACBSEX-SFYZADRCSA-N
MW172.34 g/mol
LogP2.68
Rot. Bonds1

About [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane

[(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane (PubChem CID 131844850) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane
PubChem CID131844850
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name[(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane
SMILESCC(C)(C)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(2,3)7-8(10-7)11(4,5)6/h7-8H,1-6H3/t7-,8+/m1/s1
InChIKeyLOJGMFDGACBSEX-SFYZADRCSA-N
XLogP2.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Trimethyl-(3-propan-2-yloxiran-2-yl)silane
CID 12956571
Oxirane, 2-(1,1-dimethylethyl)-2-trimethylsilyl-
CID 145509
[(2R,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane
CID 14433608
[(2R,3R)-3-tert-butyloxiran-2-yl]-trimethylsilane
CID 14433609
Dimethyl-[2-methyl-2-(oxiran-2-yl)propyl]-(oxiran-2-ylmethyl)silane
CID 21304373
Triethyl-[2-(oxiran-2-yl)ethyl]silane
CID 22660330
Tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane
CID 54423325
Tert-butyl(dimethyl) (2-methyl-2-oxirane-2-ylpropoxy)silane
CID 86642154
tert-butyl(dimethyl)silyl 2-methyl-2-[(2S)-2-oxiranyl]propyl ether
CID 99772989
(3-Tert-butyloxiran-2-yl)silane
CID 123149016
2,2-Dimethylbutane;dimethyl-[2-methyl-2-(oxiran-2-yl)propyl]-(oxiran-2-ylmethyl)silane
CID 160316216
Tert-butyl-dimethyl-[2-(oxiran-2-yl)propan-2-yl]silane
CID 166068648

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane?
The IUPAC name of [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane (CID 131844850) is [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane?
The canonical SMILES for [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane is CC(C)(C)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane?
The InChIKey is LOJGMFDGACBSEX-SFYZADRCSA-N. The full InChI is InChI=1S/C9H20OSi/c1-9(2,3)7-8(10-7)11(4,5)6/h7-8H,1-6H3/t7-,8+/m1/s1.
What are the key properties of [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane?
[(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane has a molecular weight of 172.34 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 131844850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).