propane;scandium

C3H7Sc- — CID 154383426

IUPACpropane;scandium
SMILESC[CH-]C.[Sc]
InChIInChI=1S/C3H7.Sc/c1-3-2;/h3H,1-2H3;/q-1;
InChIKeyWEOJGOLFMFEBLN-UHFFFAOYSA-N
MW88.05 g/mol
LogP1.23
Rot. Bonds

About propane;scandium

propane;scandium (PubChem CID 154383426) has the molecular formula C3H7Sc- and a molecular weight of 88.05 g/mol. Its IUPAC name is propane;scandium.

Molecular Properties

Compound Namepropane;scandium
PubChem CID154383426
Molecular FormulaC3H7Sc-
Molecular Weight88.05 g/mol
Exact Mass88.01
IUPAC Namepropane;scandium
SMILESC[CH-]C.[Sc]
InChIInChI=1S/C3H7.Sc/c1-3-2;/h3H,1-2H3;/q-1;
InChIKeyWEOJGOLFMFEBLN-UHFFFAOYSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.05
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane;scandium?
The IUPAC name of propane;scandium (CID 154383426) is propane;scandium.
What is the SMILES notation for propane;scandium?
The canonical SMILES for propane;scandium is C[CH-]C.[Sc].
What is the InChIKey of propane;scandium?
The InChIKey is WEOJGOLFMFEBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7.Sc/c1-3-2;/h3H,1-2H3;/q-1;.
What are the key properties of propane;scandium?
propane;scandium has a molecular weight of 88.05 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;scandium is sourced from PubChem (CID 154383426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).