4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal

C11H24O3Si — CID 87973232

IUPAC4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal
SMILESCOCC(C)C(C=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(9-13-2)11(8-12)14-6-7-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyOMTMQFWONXSOHU-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.19
Rot. Bonds8

About 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal

4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal (PubChem CID 87973232) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal.

Molecular Properties

Compound Name4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal
PubChem CID87973232
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal
SMILESCOCC(C)C(C=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(9-13-2)11(8-12)14-6-7-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyOMTMQFWONXSOHU-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal?
The IUPAC name of 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal (CID 87973232) is 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal.
What is the SMILES notation for 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal?
The canonical SMILES for 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal is COCC(C)C(C=O)OCC[Si](C)(C)C.
What is the InChIKey of 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal?
The InChIKey is OMTMQFWONXSOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-10(9-13-2)11(8-12)14-6-7-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal?
4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal has a molecular weight of 232.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-2-(2-trimethylsilylethoxy)butanal is sourced from PubChem (CID 87973232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).