cesium (2S)-3-hydroxy-2-methylpropanal

C4H7CsO2 — CID 135014452

IUPACcesium (2S)-3-hydroxy-2-methylpropanal
SMILESC[C@H](C=O)[CH-]O.[Cs+]
InChIInChI=1S/C4H7O2.Cs/c1-4(2-5)3-6;/h2-5H,1H3;/q-1;+1/t4-;/m0./s1
InChIKeyIHIWICJJZUBIJN-WCCKRBBISA-N
MW220.00 g/mol
LogP-2.64
Rot. Bonds2

About cesium (2S)-3-hydroxy-2-methylpropanal

cesium (2S)-3-hydroxy-2-methylpropanal (PubChem CID 135014452) has the molecular formula C4H7CsO2 and a molecular weight of 220.00 g/mol. Its IUPAC name is cesium (2S)-3-hydroxy-2-methylpropanal.

Molecular Properties

Compound Namecesium (2S)-3-hydroxy-2-methylpropanal
PubChem CID135014452
Molecular FormulaC4H7CsO2
Molecular Weight220.00 g/mol
Exact Mass219.95
IUPAC Namecesium (2S)-3-hydroxy-2-methylpropanal
SMILESC[C@H](C=O)[CH-]O.[Cs+]
InChIInChI=1S/C4H7O2.Cs/c1-4(2-5)3-6;/h2-5H,1H3;/q-1;+1/t4-;/m0./s1
InChIKeyIHIWICJJZUBIJN-WCCKRBBISA-N
XLogP-2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.00
LogP ≤ 5-2.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cesium (2S)-3-hydroxy-2-methylpropanal?
The IUPAC name of cesium (2S)-3-hydroxy-2-methylpropanal (CID 135014452) is cesium (2S)-3-hydroxy-2-methylpropanal.
What is the SMILES notation for cesium (2S)-3-hydroxy-2-methylpropanal?
The canonical SMILES for cesium (2S)-3-hydroxy-2-methylpropanal is C[C@H](C=O)[CH-]O.[Cs+].
What is the InChIKey of cesium (2S)-3-hydroxy-2-methylpropanal?
The InChIKey is IHIWICJJZUBIJN-WCCKRBBISA-N. The full InChI is InChI=1S/C4H7O2.Cs/c1-4(2-5)3-6;/h2-5H,1H3;/q-1;+1/t4-;/m0./s1.
What are the key properties of cesium (2S)-3-hydroxy-2-methylpropanal?
cesium (2S)-3-hydroxy-2-methylpropanal has a molecular weight of 220.00 g/mol, XLogP of -2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium (2S)-3-hydroxy-2-methylpropanal is sourced from PubChem (CID 135014452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).