(2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal

C15H24OSi — CID 10955923

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal
SMILESCC(C)(C)[Si](C)(C)[C@@H](C=O)Cc1ccccc1
InChIInChI=1S/C15H24OSi/c1-15(2,3)17(4,5)14(12-16)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-/m1/s1
InChIKeyNNPUIQSCPRGLLK-CQSZACIVSA-N
MW248.44 g/mol
LogP4.31
Rot. Bonds4

About (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal

(2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal (PubChem CID 10955923) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal
PubChem CID10955923
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal
SMILESCC(C)(C)[Si](C)(C)[C@@H](C=O)Cc1ccccc1
InChIInChI=1S/C15H24OSi/c1-15(2,3)17(4,5)14(12-16)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-/m1/s1
InChIKeyNNPUIQSCPRGLLK-CQSZACIVSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal 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-[tert-butyl(dimethyl)silyl]-3-phenylpropanal?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal (CID 10955923) is (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal is CC(C)(C)[Si](C)(C)[C@@H](C=O)Cc1ccccc1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal?
The InChIKey is NNPUIQSCPRGLLK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24OSi/c1-15(2,3)17(4,5)14(12-16)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal?
(2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal has a molecular weight of 248.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]-3-phenylpropanal is sourced from PubChem (CID 10955923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).