tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane

C34H32O13PRh — CID 173386840

IUPACtris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane
SMILESC=O.CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].[Rh+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.3C5H6O4.CH2O.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-3(6)2-4(7)5(8)9;1-2;/h1-15H;3*2H2,1H3,(H,8,9);1H2;/q;;;;;+3/p-3
InChIKeyARSZSIVQXQUBCV-UHFFFAOYSA-K
MW782.50 g/mol
LogP-1.89
Rot. Bonds12

About tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane

tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane (PubChem CID 173386840) has the molecular formula C34H32O13PRh and a molecular weight of 782.50 g/mol. Its IUPAC name is tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane.

Molecular Properties

Compound Nametris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane
PubChem CID173386840
Molecular FormulaC34H32O13PRh
Molecular Weight782.50 g/mol
Exact Mass782.06
IUPAC Nametris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane
SMILESC=O.CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].[Rh+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.3C5H6O4.CH2O.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-3(6)2-4(7)5(8)9;1-2;/h1-15H;3*2H2,1H3,(H,8,9);1H2;/q;;;;;+3/p-3
InChIKeyARSZSIVQXQUBCV-UHFFFAOYSA-K
XLogP-1.89
TPSA239.88 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.50
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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silver 2,4-dioxopentanoate
CID 87329053
acetic acid;chlororuthenium;tris(triphenylphosphane)
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Frequently Asked Questions

What is the IUPAC name of tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane?
The IUPAC name of tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane (CID 173386840) is tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane.
What is the SMILES notation for tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane?
The canonical SMILES for tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane is C=O.CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].[Rh+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane?
The InChIKey is ARSZSIVQXQUBCV-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H15P.3C5H6O4.CH2O.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-3(6)2-4(7)5(8)9;1-2;/h1-15H;3*2H2,1H3,(H,8,9);1H2;/q;;;;;+3/p-3.
What are the key properties of tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane?
tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane has a molecular weight of 782.50 g/mol, XLogP of -1.89, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dioxopentanoate);formaldehyde;rhodium(3+);triphenylphosphane is sourced from PubChem (CID 173386840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).