acetic acid;carbon monoxide;manganese;triphenylphosphane

C24H19MnO6P — CID 134882790

IUPACacetic acid;carbon monoxide;manganese;triphenylphosphane
SMILESCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H4O2.4CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;4*1-2;/h1-15H;1H3,(H,3,4);;;;;
InChIKeyFOHUCQMWNFWXGD-UHFFFAOYSA-N
MW489.32 g/mol
LogP3.38
Rot. Bonds3

About acetic acid;carbon monoxide;manganese;triphenylphosphane

acetic acid;carbon monoxide;manganese;triphenylphosphane (PubChem CID 134882790) has the molecular formula C24H19MnO6P and a molecular weight of 489.32 g/mol. Its IUPAC name is acetic acid;carbon monoxide;manganese;triphenylphosphane.

Molecular Properties

Compound Nameacetic acid;carbon monoxide;manganese;triphenylphosphane
PubChem CID134882790
Molecular FormulaC24H19MnO6P
Molecular Weight489.32 g/mol
Exact Mass489.03
IUPAC Nameacetic acid;carbon monoxide;manganese;triphenylphosphane
SMILESCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H4O2.4CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;4*1-2;/h1-15H;1H3,(H,3,4);;;;;
InChIKeyFOHUCQMWNFWXGD-UHFFFAOYSA-N
XLogP3.38
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;carbon monoxide;manganese;triphenylphosphane?
The IUPAC name of acetic acid;carbon monoxide;manganese;triphenylphosphane (CID 134882790) is acetic acid;carbon monoxide;manganese;triphenylphosphane.
What is the SMILES notation for acetic acid;carbon monoxide;manganese;triphenylphosphane?
The canonical SMILES for acetic acid;carbon monoxide;manganese;triphenylphosphane is CC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of acetic acid;carbon monoxide;manganese;triphenylphosphane?
The InChIKey is FOHUCQMWNFWXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C2H4O2.4CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;4*1-2;/h1-15H;1H3,(H,3,4);;;;;.
What are the key properties of acetic acid;carbon monoxide;manganese;triphenylphosphane?
acetic acid;carbon monoxide;manganese;triphenylphosphane has a molecular weight of 489.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbon monoxide;manganese;triphenylphosphane is sourced from PubChem (CID 134882790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).