2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H19BO3 — CID 59759258

IUPAC2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3/c1-6-11-7-10-12-8(2,3)9(4,5)13-10/h6-7H2,1-5H3
InChIKeyZUUOEUZHPGEIRW-UHFFFAOYSA-N
MW186.06 g/mol
LogP1.65
Rot. Bonds3

About 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 59759258) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID59759258
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3/c1-6-11-7-10-12-8(2,3)9(4,5)13-10/h6-7H2,1-5H3
InChIKeyZUUOEUZHPGEIRW-UHFFFAOYSA-N
XLogP1.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 51.65
H-Bond Donors ≤ 50
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-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 59759258) is 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZUUOEUZHPGEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-6-11-7-10-12-8(2,3)9(4,5)13-10/h6-7H2,1-5H3.
What are the key properties of 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 186.06 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 59759258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).