pentan-1-olate;tris(rubidium(1+))

C5H10ORb3+ — CID 59203348

IUPACpentan-1-olate;tris(rubidium(1+))
SMILESCCCC[CH-][O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C5H10O.3Rb/c1-2-3-4-5-6;;;/h5H,2-4H2,1H3;;;/q-2;3*+1
InChIKeyIYCZXWHINWRISP-UHFFFAOYSA-N
MW342.54 g/mol
LogP-8.29
Rot. Bonds3

About pentan-1-olate;tris(rubidium(1+))

pentan-1-olate;tris(rubidium(1+)) (PubChem CID 59203348) has the molecular formula C5H10ORb3+ and a molecular weight of 342.54 g/mol. Its IUPAC name is pentan-1-olate;tris(rubidium(1+)).

Molecular Properties

Compound Namepentan-1-olate;tris(rubidium(1+))
PubChem CID59203348
Molecular FormulaC5H10ORb3+
Molecular Weight342.54 g/mol
Exact Mass340.81
IUPAC Namepentan-1-olate;tris(rubidium(1+))
SMILESCCCC[CH-][O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C5H10O.3Rb/c1-2-3-4-5-6;;;/h5H,2-4H2,1H3;;;/q-2;3*+1
InChIKeyIYCZXWHINWRISP-UHFFFAOYSA-N
XLogP-8.29
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.54
LogP ≤ 5-8.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentan-1-olate;tris(rubidium(1+))?
The IUPAC name of pentan-1-olate;tris(rubidium(1+)) (CID 59203348) is pentan-1-olate;tris(rubidium(1+)).
What is the SMILES notation for pentan-1-olate;tris(rubidium(1+))?
The canonical SMILES for pentan-1-olate;tris(rubidium(1+)) is CCCC[CH-][O-].[Rb+].[Rb+].[Rb+].
What is the InChIKey of pentan-1-olate;tris(rubidium(1+))?
The InChIKey is IYCZXWHINWRISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.3Rb/c1-2-3-4-5-6;;;/h5H,2-4H2,1H3;;;/q-2;3*+1.
What are the key properties of pentan-1-olate;tris(rubidium(1+))?
pentan-1-olate;tris(rubidium(1+)) has a molecular weight of 342.54 g/mol, XLogP of -8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-olate;tris(rubidium(1+)) is sourced from PubChem (CID 59203348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).