potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate

C52H69B3ClKO8 — CID 161049849

IUPACpotassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate
SMILESCC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1-c1ccccc1C2(C)C.Cc1cc(Cl)cc2c1-c1ccccc1C2(C)C.[K+]
InChIInChI=1S/C22H27BO2.C16H15Cl.C12H24B2O4.C2H4O2.K/c1-14-12-15(23-24-21(4,5)22(6,7)25-23)13-18-19(14)16-10-8-9-11-17(16)20(18,2)3;1-10-8-11(17)9-14-15(10)12-6-4-5-7-13(12)16(14,2)3;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2(3)4;/h8-13H,1-7H3;4-9H,1-3H3;1-8H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyUBZKDSKUWPJNJQ-UHFFFAOYSA-M
MW929.10 g/mol
LogP7.56
Rot. Bonds2

About potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate

potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate (PubChem CID 161049849) has the molecular formula C52H69B3ClKO8 and a molecular weight of 929.10 g/mol. Its IUPAC name is potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate.

Molecular Properties

Compound Namepotassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate
PubChem CID161049849
Molecular FormulaC52H69B3ClKO8
Molecular Weight929.10 g/mol
Exact Mass928.46
IUPAC Namepotassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate
SMILESCC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1-c1ccccc1C2(C)C.Cc1cc(Cl)cc2c1-c1ccccc1C2(C)C.[K+]
InChIInChI=1S/C22H27BO2.C16H15Cl.C12H24B2O4.C2H4O2.K/c1-14-12-15(23-24-21(4,5)22(6,7)25-23)13-18-19(14)16-10-8-9-11-17(16)20(18,2)3;1-10-8-11(17)9-14-15(10)12-6-4-5-7-13(12)16(14,2)3;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2(3)4;/h8-13H,1-7H3;4-9H,1-3H3;1-8H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyUBZKDSKUWPJNJQ-UHFFFAOYSA-M
XLogP7.56
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.10
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate?
The IUPAC name of potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate (CID 161049849) is potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate.
What is the SMILES notation for potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate?
The canonical SMILES for potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate is CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1-c1ccccc1C2(C)C.Cc1cc(Cl)cc2c1-c1ccccc1C2(C)C.[K+].
What is the InChIKey of potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate?
The InChIKey is UBZKDSKUWPJNJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H27BO2.C16H15Cl.C12H24B2O4.C2H4O2.K/c1-14-12-15(23-24-21(4,5)22(6,7)25-23)13-18-19(14)16-10-8-9-11-17(16)20(18,2)3;1-10-8-11(17)9-14-15(10)12-6-4-5-7-13(12)16(14,2)3;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2(3)4;/h8-13H,1-7H3;4-9H,1-3H3;1-8H3;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate?
potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate has a molecular weight of 929.10 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate is sourced from PubChem (CID 161049849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).