bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)

C72H120B6N10O12Rf2 — CID 158283384

About bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)

bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium) (PubChem CID 158283384) has the molecular formula C72H120B6N10O12Rf2 and a molecular weight of 1916.68 g/mol. Its IUPAC name is bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium).

Molecular Properties

• Compound Name: bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)
• PubChem CID: 158283384
• Molecular Formula: C72H120B6N10O12Rf2
• Molecular Weight: 1916.68 g/mol
• Exact Mass: 1917.21
• IUPAC Name: bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)
• SMILES: CB1O[C@@H](CN)c2ccccc21.CB1O[C@H](CN)c2ccccc21.CC[C@@H]1OB(C)c2ccccc21.CC[C@@H]1OB(C)c2ccccc21.CC[C@H]1OB(C)c2ccccc21.CC[C@H]1OB(C)c2ccccc21.CNCC(=O)O.CNCC(=O)O.CNCN.CNCN.CNCO.CNCO.[Rf].[Rf]
• InChI: InChI=1S/4C10H13BO.2C9H12BNO.2C3H7NO2.2C2H8N2.2C2H7NO.2Rf/c4*1-3-10-8-6-4-5-7-9(8)11(2)12-10;2*1-10-8-5-3-2-4-7(8)9(6-11)12-10;2*1-4-2-3(5)6;2*1-4-2-3;2*1-3-2-4;;/h4*4-7,10H,3H2,1-2H3;2*2-5,9H,6,11H2,1H3;2*4H,2H2,1H3,(H,5,6);2*4H,2-3H2,1H3;2*3-4H,2H2,1H3;;/t4*10-;2*9-;;;;;;;;/m110010......../s1
• InChIKey: UQIQNZDOWMKZLD-WUDYGWNVSA-N
• XLogP: 4.21
• TPSA: 346.70 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.68
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)?

The IUPAC name of bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium) (CID 158283384) is bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium).

What is the SMILES notation for bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)?

The canonical SMILES for bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium) is CB1O[C@@H](CN)c2ccccc21.CB1O[C@H](CN)c2ccccc21.CC[C@@H]1OB(C)c2ccccc21.CC[C@@H]1OB(C)c2ccccc21.CC[C@H]1OB(C)c2ccccc21.CC[C@H]1OB(C)c2ccccc21.CNCC(=O)O.CNCC(=O)O.CNCN.CNCN.CNCO.CNCO.[Rf].[Rf].

What is the InChIKey of bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)?

The InChIKey is UQIQNZDOWMKZLD-WUDYGWNVSA-N. The full InChI is InChI=1S/4C10H13BO.2C9H12BNO.2C3H7NO2.2C2H8N2.2C2H7NO.2Rf/c4*1-3-10-8-6-4-5-7-9(8)11(2)12-10;2*1-10-8-5-3-2-4-7(8)9(6-11)12-10;2*1-4-2-3(5)6;2*1-4-2-3;2*1-3-2-4;;/h4*4-7,10H,3H2,1-2H3;2*2-5,9H,6,11H2,1H3;2*4H,2H2,1H3,(H,5,6);2*4H,2-3H2,1H3;2*3-4H,2H2,1H3;;/t4*10-;2*9-;;;;;;;;/m110010......../s1.

What are the key properties of bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium)?

bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium) has a molecular weight of 1916.68 g/mol, XLogP of 4.21, 14 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3R)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis((3S)-3-ethyl-1-methyl-3H-2,1-benzoxaborole);bis(2-(methylamino)acetic acid);methylaminomethanol;[(3S)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;[(3R)-1-methyl-3H-2,1-benzoxaborol-3-yl]methanamine;bis(N'-methylmethanediamine);bis(rutherfordium) is sourced from PubChem (CID 158283384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).