butane;rhodium(3+);hydrochloride

C12H28ClRh — CID 87753189

IUPACbutane;rhodium(3+);hydrochloride
SMILESCl.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Rh+3]
InChIInChI=1S/3C4H9.ClH.Rh/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q3*-1;;+3
InChIKeyQJONEQHRYOUSSI-UHFFFAOYSA-N
MW310.72 g/mol
LogP5.28
Rot. Bonds3

About butane;rhodium(3+);hydrochloride

butane;rhodium(3+);hydrochloride (PubChem CID 87753189) has the molecular formula C12H28ClRh and a molecular weight of 310.72 g/mol. Its IUPAC name is butane;rhodium(3+);hydrochloride.

Molecular Properties

Compound Namebutane;rhodium(3+);hydrochloride
PubChem CID87753189
Molecular FormulaC12H28ClRh
Molecular Weight310.72 g/mol
Exact Mass310.09
IUPAC Namebutane;rhodium(3+);hydrochloride
SMILESCl.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Rh+3]
InChIInChI=1S/3C4H9.ClH.Rh/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q3*-1;;+3
InChIKeyQJONEQHRYOUSSI-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.72
LogP ≤ 55.28
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 butane;rhodium(3+);hydrochloride?
The IUPAC name of butane;rhodium(3+);hydrochloride (CID 87753189) is butane;rhodium(3+);hydrochloride.
What is the SMILES notation for butane;rhodium(3+);hydrochloride?
The canonical SMILES for butane;rhodium(3+);hydrochloride is Cl.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Rh+3].
What is the InChIKey of butane;rhodium(3+);hydrochloride?
The InChIKey is QJONEQHRYOUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.ClH.Rh/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q3*-1;;+3.
What are the key properties of butane;rhodium(3+);hydrochloride?
butane;rhodium(3+);hydrochloride has a molecular weight of 310.72 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;rhodium(3+);hydrochloride is sourced from PubChem (CID 87753189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).