cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide

C30H55BCoN6OSi — CID 139106311

IUPACcobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide
SMILESCC(C)c1cc(C(C)C)n([BH-](n2nc(C(C)C)cc2C(C)C)n2nc(C(C)C)cc2C(C)C)n1.C[Si](C)(C)[O-].[Co+2]
InChIInChI=1S/C27H46BN6.C3H9OSi.Co/c1-16(2)22-13-25(19(7)8)32(29-22)28(33-26(20(9)10)14-23(30-33)17(3)4)34-27(21(11)12)15-24(31-34)18(5)6;1-5(2,3)4;/h13-21,28H,1-12H3;1-3H3;/q2*-1;+2
InChIKeyIMOGCTSNSXPOST-UHFFFAOYSA-N
MW613.64 g/mol
LogP6.86
Rot. Bonds9

About cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide

cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide (PubChem CID 139106311) has the molecular formula C30H55BCoN6OSi and a molecular weight of 613.64 g/mol. Its IUPAC name is cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide.

Molecular Properties

Compound Namecobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide
PubChem CID139106311
Molecular FormulaC30H55BCoN6OSi
Molecular Weight613.64 g/mol
Exact Mass613.36
IUPAC Namecobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide
SMILESCC(C)c1cc(C(C)C)n([BH-](n2nc(C(C)C)cc2C(C)C)n2nc(C(C)C)cc2C(C)C)n1.C[Si](C)(C)[O-].[Co+2]
InChIInChI=1S/C27H46BN6.C3H9OSi.Co/c1-16(2)22-13-25(19(7)8)32(29-22)28(33-26(20(9)10)14-23(30-33)17(3)4)34-27(21(11)12)15-24(31-34)18(5)6;1-5(2,3)4;/h13-21,28H,1-12H3;1-3H3;/q2*-1;+2
InChIKeyIMOGCTSNSXPOST-UHFFFAOYSA-N
XLogP6.86
TPSA76.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.64
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?
The IUPAC name of cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide (CID 139106311) is cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide.
What is the SMILES notation for cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?
The canonical SMILES for cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide is CC(C)c1cc(C(C)C)n([BH-](n2nc(C(C)C)cc2C(C)C)n2nc(C(C)C)cc2C(C)C)n1.C[Si](C)(C)[O-].[Co+2].
What is the InChIKey of cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?
The InChIKey is IMOGCTSNSXPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46BN6.C3H9OSi.Co/c1-16(2)22-13-25(19(7)8)32(29-22)28(33-26(20(9)10)14-23(30-33)17(3)4)34-27(21(11)12)15-24(31-34)18(5)6;1-5(2,3)4;/h13-21,28H,1-12H3;1-3H3;/q2*-1;+2.
What are the key properties of cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?
cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide has a molecular weight of 613.64 g/mol, XLogP of 6.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);trimethyl(oxido)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide is sourced from PubChem (CID 139106311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).