butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone

C20H43MnO3P2+2 — CID 164667383

IUPACbutan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
SMILESCC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.CCC[C-]=O.[CH-]=O.[CH-]=O.[Mn+3]
InChIInChI=1S/C14H32P2.C4H7O.2CHO.Mn/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-2-3-4-5;2*1-2;/h11-14H,9-10H2,1-8H3;2-3H2,1H3;2*1H;/q;3*-1;+3/p+2
InChIKeyDSMJSXYYTMZHHZ-UHFFFAOYSA-P
MW448.45 g/mol
LogP5.39
Rot. Bonds9

About butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone

butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone (PubChem CID 164667383) has the molecular formula C20H43MnO3P2+2 and a molecular weight of 448.45 g/mol. Its IUPAC name is butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone.

Molecular Properties

Compound Namebutan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
PubChem CID164667383
Molecular FormulaC20H43MnO3P2+2
Molecular Weight448.45 g/mol
Exact Mass448.21
IUPAC Namebutan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
SMILESCC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.CCC[C-]=O.[CH-]=O.[CH-]=O.[Mn+3]
InChIInChI=1S/C14H32P2.C4H7O.2CHO.Mn/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-2-3-4-5;2*1-2;/h11-14H,9-10H2,1-8H3;2-3H2,1H3;2*1H;/q;3*-1;+3/p+2
InChIKeyDSMJSXYYTMZHHZ-UHFFFAOYSA-P
XLogP5.39
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.39
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'}

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Frequently Asked Questions

What is the IUPAC name of butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?
The IUPAC name of butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone (CID 164667383) is butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone.
What is the SMILES notation for butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?
The canonical SMILES for butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone is CC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.CCC[C-]=O.[CH-]=O.[CH-]=O.[Mn+3].
What is the InChIKey of butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?
The InChIKey is DSMJSXYYTMZHHZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H32P2.C4H7O.2CHO.Mn/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-2-3-4-5;2*1-2;/h11-14H,9-10H2,1-8H3;2-3H2,1H3;2*1H;/q;3*-1;+3/p+2.
What are the key properties of butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?
butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone has a molecular weight of 448.45 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-one;2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;manganese(3+);methanone is sourced from PubChem (CID 164667383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).