About manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (PubChem CID 5242118) has the molecular formula C38H84Mn4N4O12+
and a molecular weight of 1008.86 g/mol. Its IUPAC name is manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.
Molecular Properties
| Compound Name | manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol |
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| PubChem CID | 5242118 |
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| Molecular Formula | C38H84Mn4N4O12+ |
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| Molecular Weight | 1008.86 g/mol |
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| Exact Mass | 1008.36 |
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| IUPAC Name | manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol |
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| SMILES | CC(O)CC(C)O.CC(O)CC(C)O.CO.CO.CO.CO.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Mn+2].[Mn+3].[Mn].[Mn] |
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| InChI | InChI=1S/3C6H12NO.C6H8NO.2C5H12O2.4CH4O.4Mn/c4*8-5-6-3-1-2-4-7-6;2*1-4(6)3-5(2)7;4*1-2;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;2*4-7H,3H2,1-2H3;4*2H,1H3;;;;/q4*-1;;;;;;;;;+2;+3 |
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| InChIKey | HDJXUIASBQQACQ-UHFFFAOYSA-N |
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| XLogP | 2.22 |
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| TPSA | 299.16 Ų |
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| H-Bond Donors | 12 |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1008.86 |
| LogP ≤ 5 | 2.22 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 12 |
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Frequently Asked Questions
What is the IUPAC name of manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
The IUPAC name of manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (CID 5242118) is manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.
What is the SMILES notation for manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
The canonical SMILES for manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is CC(O)CC(C)O.CC(O)CC(C)O.CO.CO.CO.CO.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Mn+2].[Mn+3].[Mn].[Mn].
What is the InChIKey of manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
The InChIKey is HDJXUIASBQQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H12NO.C6H8NO.2C5H12O2.4CH4O.4Mn/c4*8-5-6-3-1-2-4-7-6;2*1-4(6)3-5(2)7;4*1-2;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;2*4-7H,3H2,1-2H3;4*2H,1H3;;;;/q4*-1;;;;;;;;;+2;+3.
What are the key properties of manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol has a molecular weight of 1008.86 g/mol, XLogP of 2.22, 8 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is sourced from PubChem (CID 5242118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).