2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid

C11H21BO4 — CID 75487190

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid
SMILESCCCC(B1OC(C)(C)C(C)(C)O1)C(=O)O
InChIInChI=1S/C11H21BO4/c1-6-7-8(9(13)14)12-15-10(2,3)11(4,5)16-12/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyHGKRGUDTDRLDEA-UHFFFAOYSA-N
MW228.10 g/mol
LogP2.33
Rot. Bonds4

About 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid (PubChem CID 75487190) has the molecular formula C11H21BO4 and a molecular weight of 228.10 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid
PubChem CID75487190
Molecular FormulaC11H21BO4
Molecular Weight228.10 g/mol
Exact Mass228.15
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid
SMILESCCCC(B1OC(C)(C)C(C)(C)O1)C(=O)O
InChIInChI=1S/C11H21BO4/c1-6-7-8(9(13)14)12-15-10(2,3)11(4,5)16-12/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyHGKRGUDTDRLDEA-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid (CID 75487190) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid is CCCC(B1OC(C)(C)C(C)(C)O1)C(=O)O.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid?
The InChIKey is HGKRGUDTDRLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO4/c1-6-7-8(9(13)14)12-15-10(2,3)11(4,5)16-12/h8H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid has a molecular weight of 228.10 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoic acid is sourced from PubChem (CID 75487190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).