bromozinc(1+);ethyl pentanoate

C7H13BrO2Zn — CID 146001578

IUPACbromozinc(1+);ethyl pentanoate
SMILESCCC[CH-]C(=O)OCC.[Zn+]Br
InChIInChI=1S/C7H13O2.BrH.Zn/c1-3-5-6-7(8)9-4-2;;/h6H,3-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyYCIADQXJIRIDPJ-UHFFFAOYSA-M
MW274.47 g/mol
LogP2.40
Rot. Bonds4

About bromozinc(1+);ethyl pentanoate

bromozinc(1+);ethyl pentanoate (PubChem CID 146001578) has the molecular formula C7H13BrO2Zn and a molecular weight of 274.47 g/mol. Its IUPAC name is bromozinc(1+);ethyl pentanoate.

Molecular Properties

Compound Namebromozinc(1+);ethyl pentanoate
PubChem CID146001578
Molecular FormulaC7H13BrO2Zn
Molecular Weight274.47 g/mol
Exact Mass271.94
IUPAC Namebromozinc(1+);ethyl pentanoate
SMILESCCC[CH-]C(=O)OCC.[Zn+]Br
InChIInChI=1S/C7H13O2.BrH.Zn/c1-3-5-6-7(8)9-4-2;;/h6H,3-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyYCIADQXJIRIDPJ-UHFFFAOYSA-M
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.40
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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Related Compounds

ethyl hexanoate;oxovanadium
CID 175112171
ethyl 2-bromoacetate;gold(1+)
CID 174891497
ethyl 2-bromoacetate;zinc
CID 130407816
zinc bis(ethyl 3-sulfanylpropanoate)
CID 87181648
N-methanidylpentanamide;yttrium
CID 59373439
sodium ethyl 2-fluoroacetate
CID 162455444
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
ethyl 3-oxobutanoate;vanadium
CID 58440433
bromozinc(1+);ethyl 2,2-difluoroacetate
CID 11196450

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);ethyl pentanoate?
The IUPAC name of bromozinc(1+);ethyl pentanoate (CID 146001578) is bromozinc(1+);ethyl pentanoate.
What is the SMILES notation for bromozinc(1+);ethyl pentanoate?
The canonical SMILES for bromozinc(1+);ethyl pentanoate is CCC[CH-]C(=O)OCC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);ethyl pentanoate?
The InChIKey is YCIADQXJIRIDPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13O2.BrH.Zn/c1-3-5-6-7(8)9-4-2;;/h6H,3-5H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);ethyl pentanoate?
bromozinc(1+);ethyl pentanoate has a molecular weight of 274.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);ethyl pentanoate is sourced from PubChem (CID 146001578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).