(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal

C20H34O4Si — CID 11100655

IUPAC(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc1ccccc1)[C@](C)(O)CC=O
InChIInChI=1S/C20H34O4Si/c1-16(24-25(6,7)19(2,3)4)18(20(5,22)13-14-21)23-15-17-11-9-8-10-12-17/h8-12,14,16,18,22H,13,15H2,1-7H3/t16-,18-,20+/m0/s1
InChIKeyAFHCPDSRKBITGZ-XKGZKEIXSA-N
MW366.57 g/mol
LogP4.32
Rot. Bonds9

About (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal

(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal (PubChem CID 11100655) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal.

Molecular Properties

Compound Name(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal
PubChem CID11100655
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc1ccccc1)[C@](C)(O)CC=O
InChIInChI=1S/C20H34O4Si/c1-16(24-25(6,7)19(2,3)4)18(20(5,22)13-14-21)23-15-17-11-9-8-10-12-17/h8-12,14,16,18,22H,13,15H2,1-7H3/t16-,18-,20+/m0/s1
InChIKeyAFHCPDSRKBITGZ-XKGZKEIXSA-N
XLogP4.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.32
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'}

Analyze (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal 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 (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal?
The IUPAC name of (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal (CID 11100655) is (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal.
What is the SMILES notation for (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal?
The canonical SMILES for (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc1ccccc1)[C@](C)(O)CC=O.
What is the InChIKey of (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal?
The InChIKey is AFHCPDSRKBITGZ-XKGZKEIXSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-16(24-25(6,7)19(2,3)4)18(20(5,22)13-14-21)23-15-17-11-9-8-10-12-17/h8-12,14,16,18,22H,13,15H2,1-7H3/t16-,18-,20+/m0/s1.
What are the key properties of (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal?
(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal has a molecular weight of 366.57 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyl-4-phenylmethoxyhexanal is sourced from PubChem (CID 11100655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).