2-ethyl-2-(triethylsilyloxymethyl)butanal

C13H28O2Si — CID 10490531

IUPAC2-ethyl-2-(triethylsilyloxymethyl)butanal
SMILESCCC(C=O)(CC)CO[Si](CC)(CC)CC
InChIInChI=1S/C13H28O2Si/c1-6-13(7-2,11-14)12-15-16(8-3,9-4)10-5/h11H,6-10,12H2,1-5H3
InChIKeyHCBMPVKHXQHWHZ-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds9

About 2-ethyl-2-(triethylsilyloxymethyl)butanal

2-ethyl-2-(triethylsilyloxymethyl)butanal (PubChem CID 10490531) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-ethyl-2-(triethylsilyloxymethyl)butanal.

Molecular Properties

Compound Name2-ethyl-2-(triethylsilyloxymethyl)butanal
PubChem CID10490531
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name2-ethyl-2-(triethylsilyloxymethyl)butanal
SMILESCCC(C=O)(CC)CO[Si](CC)(CC)CC
InChIInChI=1S/C13H28O2Si/c1-6-13(7-2,11-14)12-15-16(8-3,9-4)10-5/h11H,6-10,12H2,1-5H3
InChIKeyHCBMPVKHXQHWHZ-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-ethyl-2-(triethylsilyloxymethyl)butanal?
The IUPAC name of 2-ethyl-2-(triethylsilyloxymethyl)butanal (CID 10490531) is 2-ethyl-2-(triethylsilyloxymethyl)butanal.
What is the SMILES notation for 2-ethyl-2-(triethylsilyloxymethyl)butanal?
The canonical SMILES for 2-ethyl-2-(triethylsilyloxymethyl)butanal is CCC(C=O)(CC)CO[Si](CC)(CC)CC.
What is the InChIKey of 2-ethyl-2-(triethylsilyloxymethyl)butanal?
The InChIKey is HCBMPVKHXQHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-6-13(7-2,11-14)12-15-16(8-3,9-4)10-5/h11H,6-10,12H2,1-5H3.
What are the key properties of 2-ethyl-2-(triethylsilyloxymethyl)butanal?
2-ethyl-2-(triethylsilyloxymethyl)butanal has a molecular weight of 244.45 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(triethylsilyloxymethyl)butanal is sourced from PubChem (CID 10490531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).