(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal

C14H30O5Si — CID 11347331

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal
SMILESCOCCOCO[C@H](C=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-12(19-20(6,7)14(2,3)4)13(10-15)18-11-17-9-8-16-5/h10,12-13H,8-9,11H2,1-7H3/t12-,13+/m0/s1
InChIKeyDXDREHYCPBLUTK-QWHCGFSZSA-N
MW306.48 g/mol
LogP2.60
Rot. Bonds10

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal (PubChem CID 11347331) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal
PubChem CID11347331
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal
SMILESCOCCOCO[C@H](C=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-12(19-20(6,7)14(2,3)4)13(10-15)18-11-17-9-8-16-5/h10,12-13H,8-9,11H2,1-7H3/t12-,13+/m0/s1
InChIKeyDXDREHYCPBLUTK-QWHCGFSZSA-N
XLogP2.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal (CID 11347331) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal is COCCOCO[C@H](C=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal?
The InChIKey is DXDREHYCPBLUTK-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-12(19-20(6,7)14(2,3)4)13(10-15)18-11-17-9-8-16-5/h10,12-13H,8-9,11H2,1-7H3/t12-,13+/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal has a molecular weight of 306.48 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal is sourced from PubChem (CID 11347331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).