[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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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).