[(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol

C16H34O3Si — CID 14959490

IUPAC[(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1O[C@]1(C)CO
InChIInChI=1S/C16H34O3Si/c1-9-10-13(19-20(7,8)15(3,4)5)12(2)14-16(6,11-17)18-14/h12-14,17H,9-11H2,1-8H3/t12-,13+,14-,16+/m0/s1
InChIKeyWGWVDTHMZIUEDL-KNCOVGOOSA-N
MW302.53 g/mol
LogP3.96
Rot. Bonds7

About [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol

[(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol (PubChem CID 14959490) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol
PubChem CID14959490
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name[(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1O[C@]1(C)CO
InChIInChI=1S/C16H34O3Si/c1-9-10-13(19-20(7,8)15(3,4)5)12(2)14-16(6,11-17)18-14/h12-14,17H,9-11H2,1-8H3/t12-,13+,14-,16+/m0/s1
InChIKeyWGWVDTHMZIUEDL-KNCOVGOOSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.96
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 [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol (CID 14959490) is [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol is CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1O[C@]1(C)CO.
What is the InChIKey of [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol?
The InChIKey is WGWVDTHMZIUEDL-KNCOVGOOSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-13(19-20(7,8)15(3,4)5)12(2)14-16(6,11-17)18-14/h12-14,17H,9-11H2,1-8H3/t12-,13+,14-,16+/m0/s1.
What are the key properties of [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol?
[(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol has a molecular weight of 302.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 14959490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).