hydride;2-methylpropanal;rubidium(1+)

C4H9ORb — CID 173100636

IUPAChydride;2-methylpropanal;rubidium(1+)
SMILESCC(C)C=O.[H-].[Rb+]
InChIInChI=1S/C4H8O.Rb.H/c1-4(2)3-5;;/h3-4H,1-2H3;;/q;+1;-1
InChIKeyVDOJDOKLNNEDEG-UHFFFAOYSA-N
MW158.58 g/mol
LogP-2.04
Rot. Bonds1

About hydride;2-methylpropanal;rubidium(1+)

hydride;2-methylpropanal;rubidium(1+) (PubChem CID 173100636) has the molecular formula C4H9ORb and a molecular weight of 158.58 g/mol. Its IUPAC name is hydride;2-methylpropanal;rubidium(1+).

Molecular Properties

Compound Namehydride;2-methylpropanal;rubidium(1+)
PubChem CID173100636
Molecular FormulaC4H9ORb
Molecular Weight158.58 g/mol
Exact Mass157.98
IUPAC Namehydride;2-methylpropanal;rubidium(1+)
SMILESCC(C)C=O.[H-].[Rb+]
InChIInChI=1S/C4H8O.Rb.H/c1-4(2)3-5;;/h3-4H,1-2H3;;/q;+1;-1
InChIKeyVDOJDOKLNNEDEG-UHFFFAOYSA-N
XLogP-2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylbutanal
CID 11552
Isobutyraldehyde
CID 6561
2-Methylbutanal
CID 7284
Pivalaldehyde
CID 12417
(S)-2-Methylbutanal
CID 6971249
(R)-2-methylbutyraldehyde
CID 6971248
Isovaleraldehyde-1-13C
CID 12198513
Propionaldehyde isobutyraldehyde
CID 22152471
2-Methylpropanal-d1
CID 12201206
1-Deuterio-2-methylbutan-1-one
CID 58455246
2-Methylpropanal;hydrate
CID 20552521
1-Deuterio-2-methylpropan-1-one
CID 59134986

Frequently Asked Questions

What is the IUPAC name of hydride;2-methylpropanal;rubidium(1+)?
The IUPAC name of hydride;2-methylpropanal;rubidium(1+) (CID 173100636) is hydride;2-methylpropanal;rubidium(1+).
What is the SMILES notation for hydride;2-methylpropanal;rubidium(1+)?
The canonical SMILES for hydride;2-methylpropanal;rubidium(1+) is CC(C)C=O.[H-].[Rb+].
What is the InChIKey of hydride;2-methylpropanal;rubidium(1+)?
The InChIKey is VDOJDOKLNNEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Rb.H/c1-4(2)3-5;;/h3-4H,1-2H3;;/q;+1;-1.
What are the key properties of hydride;2-methylpropanal;rubidium(1+)?
hydride;2-methylpropanal;rubidium(1+) has a molecular weight of 158.58 g/mol, XLogP of -2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;2-methylpropanal;rubidium(1+) is sourced from PubChem (CID 173100636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).