ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

C13H19BO5 — CID 46739337

IUPACethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1
InChIInChI=1S/C13H19BO5/c1-6-16-11(15)9-7-8-10(17-9)14-18-12(2,3)13(4,5)19-14/h7-8H,6H2,1-5H3
InChIKeyUMMKKZJPSPIDGN-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.76
Rot. Bonds3

About ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate (PubChem CID 46739337) has the molecular formula C13H19BO5 and a molecular weight of 266.10 g/mol. Its IUPAC name is ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
PubChem CID46739337
Molecular FormulaC13H19BO5
Molecular Weight266.10 g/mol
Exact Mass266.13
IUPAC Nameethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1
InChIInChI=1S/C13H19BO5/c1-6-16-11(15)9-7-8-10(17-9)14-18-12(2,3)13(4,5)19-14/h7-8H,6H2,1-5H3
InChIKeyUMMKKZJPSPIDGN-UHFFFAOYSA-N
XLogP1.76
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]ethanone
CID 125180268
ethyl 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 135393521
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
CID 146010161
ethyl 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CID 58120060
ethyl 5-triethoxygermylfuran-2-carboxylate
CID 71429750
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethane;2-(4-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-methylfuran-2-carboxylate
CID 142927147
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
CID 21111505
zinc;ethyl 5-methanidylfuran-2-carboxylate;chloride
CID 57349193
ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 22032441
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
methyl 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]propanoate
CID 166099273

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate?
The IUPAC name of ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate (CID 46739337) is ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate.
What is the SMILES notation for ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate?
The canonical SMILES for ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate is CCOC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1.
What is the InChIKey of ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate?
The InChIKey is UMMKKZJPSPIDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO5/c1-6-16-11(15)9-7-8-10(17-9)14-18-12(2,3)13(4,5)19-14/h7-8H,6H2,1-5H3.
What are the key properties of ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate?
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate has a molecular weight of 266.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate is sourced from PubChem (CID 46739337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).