methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate

C17H38O5Si2 — CID 10691089

IUPACmethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate
SMILESCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H38O5Si2/c1-17(2,3)24(8,9)22-13-15(12-16(18)19-4)21-14-20-10-11-23(5,6)7/h15H,10-14H2,1-9H3/t15-/m0/s1
InChIKeyXJJHJBHNFXKHAC-HNNXBMFYSA-N
MW378.66 g/mol
LogP4.27
Rot. Bonds11

About methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate

methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate (PubChem CID 10691089) has the molecular formula C17H38O5Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate.

Molecular Properties

Compound Namemethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate
PubChem CID10691089
Molecular FormulaC17H38O5Si2
Molecular Weight378.66 g/mol
Exact Mass378.23
IUPAC Namemethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate
SMILESCOC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H38O5Si2/c1-17(2,3)24(8,9)22-13-15(12-16(18)19-4)21-14-20-10-11-23(5,6)7/h15H,10-14H2,1-9H3/t15-/m0/s1
InChIKeyXJJHJBHNFXKHAC-HNNXBMFYSA-N
XLogP4.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate 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 methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate?
The IUPAC name of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate (CID 10691089) is methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate.
What is the SMILES notation for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate?
The canonical SMILES for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate is COC(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C.
What is the InChIKey of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate?
The InChIKey is XJJHJBHNFXKHAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H38O5Si2/c1-17(2,3)24(8,9)22-13-15(12-16(18)19-4)21-14-20-10-11-23(5,6)7/h15H,10-14H2,1-9H3/t15-/m0/s1.
What are the key properties of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate?
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate has a molecular weight of 378.66 g/mol, XLogP of 4.27, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanoate is sourced from PubChem (CID 10691089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).