4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane

C11H23BO4S — CID 174245537

IUPAC4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane
SMILESCC([C@@H](C)B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O
InChIInChI=1S/C11H23BO4S/c1-8(9(2)17(7,13)14)12-15-10(3,4)11(5,6)16-12/h8-9H,1-7H3/t8-,9?/m1/s1
InChIKeyQAQDFKUIKPGFDC-VEDVMXKPSA-N
MW262.18 g/mol
LogP1.90
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane (PubChem CID 174245537) has the molecular formula C11H23BO4S and a molecular weight of 262.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane
PubChem CID174245537
Molecular FormulaC11H23BO4S
Molecular Weight262.18 g/mol
Exact Mass262.14
IUPAC Name4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane
SMILESCC([C@@H](C)B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O
InChIInChI=1S/C11H23BO4S/c1-8(9(2)17(7,13)14)12-15-10(3,4)11(5,6)16-12/h8-9H,1-7H3/t8-,9?/m1/s1
InChIKeyQAQDFKUIKPGFDC-VEDVMXKPSA-N
XLogP1.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane (CID 174245537) is 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane is CC([C@@H](C)B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is QAQDFKUIKPGFDC-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H23BO4S/c1-8(9(2)17(7,13)14)12-15-10(3,4)11(5,6)16-12/h8-9H,1-7H3/t8-,9?/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 262.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(2R)-3-methylsulfonylbutan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 174245537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).