(2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal

C11H24O3Si — CID 20578888

IUPAC(2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal
SMILESCC(C)[C@@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(2)11(8-12)14-9-13-6-7-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3/t11-/m1/s1
InChIKeyLYACFIAEHZNXBW-LLVKDONJSA-N
MW232.40 g/mol
LogP2.54
Rot. Bonds8

About (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal

(2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal (PubChem CID 20578888) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal
PubChem CID20578888
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal
SMILESCC(C)[C@@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(2)11(8-12)14-9-13-6-7-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3/t11-/m1/s1
InChIKeyLYACFIAEHZNXBW-LLVKDONJSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal?
The IUPAC name of (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal (CID 20578888) is (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal.
What is the SMILES notation for (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal?
The canonical SMILES for (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal is CC(C)[C@@H](C=O)OCOCC[Si](C)(C)C.
What is the InChIKey of (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal?
The InChIKey is LYACFIAEHZNXBW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-10(2)11(8-12)14-9-13-6-7-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3/t11-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal?
(2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal has a molecular weight of 232.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal is sourced from PubChem (CID 20578888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).