(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal

C17H34O3Si — CID 139777190

IUPAC(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal
SMILESCC[C@H](C[C@H]1CC[C@@H]([C@@H](C)C=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-14(20-21(6,7)17(3,4)5)11-15-9-10-16(19-15)13(2)12-18/h12-16H,8-11H2,1-7H3/t13-,14+,15+,16-/m0/s1
InChIKeyDIMQRIPJCSJUCS-JJXSEGSLSA-N
MW314.54 g/mol
LogP4.56
Rot. Bonds7

About (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal

(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal (PubChem CID 139777190) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal
PubChem CID139777190
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal
SMILESCC[C@H](C[C@H]1CC[C@@H]([C@@H](C)C=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-14(20-21(6,7)17(3,4)5)11-15-9-10-16(19-15)13(2)12-18/h12-16H,8-11H2,1-7H3/t13-,14+,15+,16-/m0/s1
InChIKeyDIMQRIPJCSJUCS-JJXSEGSLSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.56
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'}

Analyze (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal 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 (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal?
The IUPAC name of (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal (CID 139777190) is (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal is CC[C@H](C[C@H]1CC[C@@H]([C@@H](C)C=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal?
The InChIKey is DIMQRIPJCSJUCS-JJXSEGSLSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-14(20-21(6,7)17(3,4)5)11-15-9-10-16(19-15)13(2)12-18/h12-16H,8-11H2,1-7H3/t13-,14+,15+,16-/m0/s1.
What are the key properties of (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal?
(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal has a molecular weight of 314.54 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal is sourced from PubChem (CID 139777190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).