bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane

C9H18BBrO2Zn — CID 135084480

IUPACbromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
SMILES[CH2-]CCB1OC(C)(C)C(C)(C)O1.[Zn+]Br
InChIInChI=1S/C9H18BO2.BrH.Zn/c1-6-7-10-11-8(2,3)9(4,5)12-10;;/h1,6-7H2,2-5H3;1H;/q-1;;+2/p-1
InChIKeyXQQHREPZGCMUTC-UHFFFAOYSA-M
MW314.35 g/mol
LogP3.15
Rot. Bonds2

About bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane

bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane (PubChem CID 135084480) has the molecular formula C9H18BBrO2Zn and a molecular weight of 314.35 g/mol. Its IUPAC name is bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namebromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
PubChem CID135084480
Molecular FormulaC9H18BBrO2Zn
Molecular Weight314.35 g/mol
Exact Mass311.99
IUPAC Namebromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
SMILES[CH2-]CCB1OC(C)(C)C(C)(C)O1.[Zn+]Br
InChIInChI=1S/C9H18BO2.BrH.Zn/c1-6-7-10-11-8(2,3)9(4,5)12-10;;/h1,6-7H2,2-5H3;1H;/q-1;;+2/p-1
InChIKeyXQQHREPZGCMUTC-UHFFFAOYSA-M
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
The IUPAC name of bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane (CID 135084480) is bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane.
What is the SMILES notation for bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
The canonical SMILES for bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane is [CH2-]CCB1OC(C)(C)C(C)(C)O1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
The InChIKey is XQQHREPZGCMUTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18BO2.BrH.Zn/c1-6-7-10-11-8(2,3)9(4,5)12-10;;/h1,6-7H2,2-5H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane?
bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane has a molecular weight of 314.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane is sourced from PubChem (CID 135084480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).