(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal

C17H34O4Si — CID 90440610

IUPAC(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)C=O
InChIInChI=1S/C17H34O4Si/c1-9-13(21-22(7,8)16(3,4)5)12(2)15-14(20-15)10-17(6,19)11-18/h11-15,19H,9-10H2,1-8H3/t12-,13+,14-,15-,17-/m1/s1
InChIKeyXVXZKEJNIMARSB-JRBZFYFNSA-N
MW330.54 g/mol
LogP3.53
Rot. Bonds8

About (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal

(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal (PubChem CID 90440610) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal
PubChem CID90440610
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)C=O
InChIInChI=1S/C17H34O4Si/c1-9-13(21-22(7,8)16(3,4)5)12(2)15-14(20-15)10-17(6,19)11-18/h11-15,19H,9-10H2,1-8H3/t12-,13+,14-,15-,17-/m1/s1
InChIKeyXVXZKEJNIMARSB-JRBZFYFNSA-N
XLogP3.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal?
The IUPAC name of (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal (CID 90440610) is (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal.
What is the SMILES notation for (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal?
The canonical SMILES for (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)C=O.
What is the InChIKey of (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal?
The InChIKey is XVXZKEJNIMARSB-JRBZFYFNSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-9-13(21-22(7,8)16(3,4)5)12(2)15-14(20-15)10-17(6,19)11-18/h11-15,19H,9-10H2,1-8H3/t12-,13+,14-,15-,17-/m1/s1.
What are the key properties of (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal?
(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal has a molecular weight of 330.54 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal is sourced from PubChem (CID 90440610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).