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

C16H36O4Si2 — CID 10641490

IUPAC(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C16H36O4Si2/c1-16(2,3)22(7,8)20-13-15(9-10-17)19-14-18-11-12-21(4,5)6/h10,15H,9,11-14H2,1-8H3/t15-/m0/s1
InChIKeyHFWOEVFFNHSFBS-HNNXBMFYSA-N
MW348.63 g/mol
LogP4.29
Rot. Bonds11

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

(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal (PubChem CID 10641490) has the molecular formula C16H36O4Si2 and a molecular weight of 348.63 g/mol. Its IUPAC name is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal.

Molecular Properties

Compound Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal
PubChem CID10641490
Molecular FormulaC16H36O4Si2
Molecular Weight348.63 g/mol
Exact Mass348.22
IUPAC Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C16H36O4Si2/c1-16(2,3)22(7,8)20-13-15(9-10-17)19-14-18-11-12-21(4,5)6/h10,15H,9,11-14H2,1-8H3/t15-/m0/s1
InChIKeyHFWOEVFFNHSFBS-HNNXBMFYSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal?
The IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal (CID 10641490) is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal.
What is the SMILES notation for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal?
The canonical SMILES for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal is CC(C)(C)[Si](C)(C)OC[C@H](CC=O)OCOCC[Si](C)(C)C.
What is the InChIKey of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal?
The InChIKey is HFWOEVFFNHSFBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H36O4Si2/c1-16(2,3)22(7,8)20-13-15(9-10-17)19-14-18-11-12-21(4,5)6/h10,15H,9,11-14H2,1-8H3/t15-/m0/s1.
What are the key properties of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal?
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal has a molecular weight of 348.63 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal is sourced from PubChem (CID 10641490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).