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

C17H34O3Si — CID 16742650

IUPAC(2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)C=O
InChIInChI=1S/C17H34O3Si/c1-9-14(20-21(7,8)17(4,5)6)13(3)16-15(19-16)10-12(2)11-18/h11-16H,9-10H2,1-8H3/t12-,13+,14-,15+,16+/m0/s1
InChIKeyOSAAOJIMEIGXGP-ZVDSWSACSA-N
MW314.54 g/mol
LogP4.42
Rot. Bonds8

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

(2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal (PubChem CID 16742650) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal.

Molecular Properties

Compound Name(2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal
PubChem CID16742650
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)C=O
InChIInChI=1S/C17H34O3Si/c1-9-14(20-21(7,8)17(4,5)6)13(3)16-15(19-16)10-12(2)11-18/h11-16H,9-10H2,1-8H3/t12-,13+,14-,15+,16+/m0/s1
InChIKeyOSAAOJIMEIGXGP-ZVDSWSACSA-N
XLogP4.42
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal?
The IUPAC name of (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal (CID 16742650) is (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal.
What is the SMILES notation for (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal?
The canonical SMILES for (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)C=O.
What is the InChIKey of (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal?
The InChIKey is OSAAOJIMEIGXGP-ZVDSWSACSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-14(20-21(7,8)17(4,5)6)13(3)16-15(19-16)10-12(2)11-18/h11-16H,9-10H2,1-8H3/t12-,13+,14-,15+,16+/m0/s1.
What are the key properties of (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal?
(2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal has a molecular weight of 314.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal is sourced from PubChem (CID 16742650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).