4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal

C12H28OSi2 — CID 173241037

IUPAC4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal
SMILESC[Si](C)(C)CCC(C=O)CC[Si](C)(C)C
InChIInChI=1S/C12H28OSi2/c1-14(2,3)9-7-12(11-13)8-10-15(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyNGBUZVVUIUTHJU-UHFFFAOYSA-N
MW244.53 g/mol
LogP4.26
Rot. Bonds7

About 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal

4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal (PubChem CID 173241037) has the molecular formula C12H28OSi2 and a molecular weight of 244.53 g/mol. Its IUPAC name is 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal.

Molecular Properties

Compound Name4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal
PubChem CID173241037
Molecular FormulaC12H28OSi2
Molecular Weight244.53 g/mol
Exact Mass244.17
IUPAC Name4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal
SMILESC[Si](C)(C)CCC(C=O)CC[Si](C)(C)C
InChIInChI=1S/C12H28OSi2/c1-14(2,3)9-7-12(11-13)8-10-15(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyNGBUZVVUIUTHJU-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-trimethylsilyl-2-(2-trimethylsilylethyl)butanal?
The IUPAC name of 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal (CID 173241037) is 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal.
What is the SMILES notation for 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal?
The canonical SMILES for 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal is C[Si](C)(C)CCC(C=O)CC[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal?
The InChIKey is NGBUZVVUIUTHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi2/c1-14(2,3)9-7-12(11-13)8-10-15(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal?
4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal has a molecular weight of 244.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyl-2-(2-trimethylsilylethyl)butanal is sourced from PubChem (CID 173241037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).