butan-1-one;carbanide;manganese;methanone;phosphane

C7H18MnO3P2-4 — CID 164671894

IUPACbutan-1-one;carbanide;manganese;methanone;phosphane
SMILESCCC[C-]=O.P.P.[CH-]=O.[CH-]=O.[CH3-].[Mn]
InChIInChI=1S/C4H7O.2CHO.CH3.Mn.2H3P/c1-2-3-4-5;2*1-2;;;;/h2-3H2,1H3;2*1H;1H3;;2*1H3/q4*-1;;;
InChIKeyHXSNNKVKHKCAQF-UHFFFAOYSA-N
MW267.10 g/mol
LogP0.91
Rot. Bonds2

About butan-1-one;carbanide;manganese;methanone;phosphane

butan-1-one;carbanide;manganese;methanone;phosphane (PubChem CID 164671894) has the molecular formula C7H18MnO3P2-4 and a molecular weight of 267.10 g/mol. Its IUPAC name is butan-1-one;carbanide;manganese;methanone;phosphane.

Molecular Properties

Compound Namebutan-1-one;carbanide;manganese;methanone;phosphane
PubChem CID164671894
Molecular FormulaC7H18MnO3P2-4
Molecular Weight267.10 g/mol
Exact Mass267.01
IUPAC Namebutan-1-one;carbanide;manganese;methanone;phosphane
SMILESCCC[C-]=O.P.P.[CH-]=O.[CH-]=O.[CH3-].[Mn]
InChIInChI=1S/C4H7O.2CHO.CH3.Mn.2H3P/c1-2-3-4-5;2*1-2;;;;/h2-3H2,1H3;2*1H;1H3;;2*1H3/q4*-1;;;
InChIKeyHXSNNKVKHKCAQF-UHFFFAOYSA-N
XLogP0.91
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butan-1-one;carbanide;manganese;methanone;phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(butan-1-one);zirconium(4+)
CID 87573638
manganese;methanone;propan-1-one
CID 88800461
butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
CID 164667383
manganese;pentan-1-one
CID 88818805
butan-1-one;pentan-1-ol;zinc
CID 174566497
decan-1-one;rhenium
CID 88777859
potassium;octadecan-1-one;hydroxide
CID 154614653
tridecan-1-one;zirconium(4+);trichloride
CID 159832602
propan-1-one;yttrium(3+)
CID 21337115
propan-1-one;rutherfordium
CID 59964836
sodium;hexadecane;octadecan-1-one;sulfuric acid
CID 160734038
sodium;dodecan-1-one;propanoic acid
CID 174896137

Frequently Asked Questions

What is the IUPAC name of butan-1-one;carbanide;manganese;methanone;phosphane?
The IUPAC name of butan-1-one;carbanide;manganese;methanone;phosphane (CID 164671894) is butan-1-one;carbanide;manganese;methanone;phosphane.
What is the SMILES notation for butan-1-one;carbanide;manganese;methanone;phosphane?
The canonical SMILES for butan-1-one;carbanide;manganese;methanone;phosphane is CCC[C-]=O.P.P.[CH-]=O.[CH-]=O.[CH3-].[Mn].
What is the InChIKey of butan-1-one;carbanide;manganese;methanone;phosphane?
The InChIKey is HXSNNKVKHKCAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.2CHO.CH3.Mn.2H3P/c1-2-3-4-5;2*1-2;;;;/h2-3H2,1H3;2*1H;1H3;;2*1H3/q4*-1;;;.
What are the key properties of butan-1-one;carbanide;manganese;methanone;phosphane?
butan-1-one;carbanide;manganese;methanone;phosphane has a molecular weight of 267.10 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-one;carbanide;manganese;methanone;phosphane is sourced from PubChem (CID 164671894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).