tert-butyl(dimethyl)silane;(2S)-2-methylbutanal

C11H26OSi — CID 123181168

IUPACtert-butyl(dimethyl)silane;(2S)-2-methylbutanal
SMILESCC[C@H](C)C=O.C[SiH](C)C(C)(C)C
InChIInChI=1S/C6H16Si.C5H10O/c1-6(2,3)7(4)5;1-3-5(2)4-6/h7H,1-5H3;4-5H,3H2,1-2H3/t;5-/m.0/s1
InChIKeyKOYXRMCNQBODIX-ZSCHJXSPSA-N
MW202.41 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl(dimethyl)silane;(2S)-2-methylbutanal

tert-butyl(dimethyl)silane;(2S)-2-methylbutanal (PubChem CID 123181168) has the molecular formula C11H26OSi and a molecular weight of 202.41 g/mol. Its IUPAC name is tert-butyl(dimethyl)silane;(2S)-2-methylbutanal.

Molecular Properties

Compound Nametert-butyl(dimethyl)silane;(2S)-2-methylbutanal
PubChem CID123181168
Molecular FormulaC11H26OSi
Molecular Weight202.41 g/mol
Exact Mass202.18
IUPAC Nametert-butyl(dimethyl)silane;(2S)-2-methylbutanal
SMILESCC[C@H](C)C=O.C[SiH](C)C(C)(C)C
InChIInChI=1S/C6H16Si.C5H10O/c1-6(2,3)7(4)5;1-3-5(2)4-6/h7H,1-5H3;4-5H,3H2,1-2H3/t;5-/m.0/s1
InChIKeyKOYXRMCNQBODIX-ZSCHJXSPSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.41
LogP ≤ 53.50
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 tert-butyl(dimethyl)silane;(2S)-2-methylbutanal?
The IUPAC name of tert-butyl(dimethyl)silane;(2S)-2-methylbutanal (CID 123181168) is tert-butyl(dimethyl)silane;(2S)-2-methylbutanal.
What is the SMILES notation for tert-butyl(dimethyl)silane;(2S)-2-methylbutanal?
The canonical SMILES for tert-butyl(dimethyl)silane;(2S)-2-methylbutanal is CC[C@H](C)C=O.C[SiH](C)C(C)(C)C.
What is the InChIKey of tert-butyl(dimethyl)silane;(2S)-2-methylbutanal?
The InChIKey is KOYXRMCNQBODIX-ZSCHJXSPSA-N. The full InChI is InChI=1S/C6H16Si.C5H10O/c1-6(2,3)7(4)5;1-3-5(2)4-6/h7H,1-5H3;4-5H,3H2,1-2H3/t;5-/m.0/s1.
What are the key properties of tert-butyl(dimethyl)silane;(2S)-2-methylbutanal?
tert-butyl(dimethyl)silane;(2S)-2-methylbutanal has a molecular weight of 202.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(dimethyl)silane;(2S)-2-methylbutanal is sourced from PubChem (CID 123181168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).