(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal

C19H42O3Si2 — CID 57352133

IUPAC(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)OC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C19H42O3Si2/c1-11-24(12-2,13-3)21-15-17(5)18(16(4)14-20)22-23(9,10)19(6,7)8/h14,16-18H,11-13,15H2,1-10H3/t16?,17-,18+/m0/s1
InChIKeyAERSEROMGBJXKP-UQJFVLDMSA-N
MW374.71 g/mol
LogP5.87
Rot. Bonds11

About (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal

(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal (PubChem CID 57352133) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal
PubChem CID57352133
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)OC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C19H42O3Si2/c1-11-24(12-2,13-3)21-15-17(5)18(16(4)14-20)22-23(9,10)19(6,7)8/h14,16-18H,11-13,15H2,1-10H3/t16?,17-,18+/m0/s1
InChIKeyAERSEROMGBJXKP-UQJFVLDMSA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 55.87
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,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal 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,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal?
The IUPAC name of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal (CID 57352133) is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal.
What is the SMILES notation for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal?
The canonical SMILES for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal is CC[Si](CC)(CC)OC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal?
The InChIKey is AERSEROMGBJXKP-UQJFVLDMSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-11-24(12-2,13-3)21-15-17(5)18(16(4)14-20)22-23(9,10)19(6,7)8/h14,16-18H,11-13,15H2,1-10H3/t16?,17-,18+/m0/s1.
What are the key properties of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal?
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal has a molecular weight of 374.71 g/mol, XLogP of 5.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxypentanal is sourced from PubChem (CID 57352133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).