[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol

C12H26O3Si — CID 74036562

IUPAC[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
SMILESCC1(CCO[Si](C)(C)C(C)(C)C)OC1CO
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16(5,6)14-8-7-12(4)10(9-13)15-12/h10,13H,7-9H2,1-6H3
InChIKeyPSZOFXJLKGNAQA-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.55
Rot. Bonds5

About [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol

[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol (PubChem CID 74036562) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
PubChem CID74036562
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
SMILESCC1(CCO[Si](C)(C)C(C)(C)C)OC1CO
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16(5,6)14-8-7-12(4)10(9-13)15-12/h10,13H,7-9H2,1-6H3
InChIKeyPSZOFXJLKGNAQA-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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'}

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Related Compounds

tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol
CID 123636391
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 72993760
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955847
[(4R,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11152254
[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 11459641
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 11078469
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033

Frequently Asked Questions

What is the IUPAC name of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol?
The IUPAC name of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol (CID 74036562) is [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol.
What is the SMILES notation for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol?
The canonical SMILES for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol is CC1(CCO[Si](C)(C)C(C)(C)C)OC1CO.
What is the InChIKey of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol?
The InChIKey is PSZOFXJLKGNAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-11(2,3)16(5,6)14-8-7-12(4)10(9-13)15-12/h10,13H,7-9H2,1-6H3.
What are the key properties of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol?
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol has a molecular weight of 246.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol is sourced from PubChem (CID 74036562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).