bromozinc(1+);methyl propanoate

C4H7BrO2Zn — CID 59343224

IUPACbromozinc(1+);methyl propanoate
SMILES[CH2-]CC(=O)OC.[Zn+]Br
InChIInChI=1S/C4H7O2.BrH.Zn/c1-3-4(5)6-2;;/h1,3H2,2H3;1H;/q-1;;+2/p-1
InChIKeyDRJFIDGHJCQXQP-UHFFFAOYSA-M
MW232.39 g/mol
LogP1.23
Rot. Bonds1

About bromozinc(1+);methyl propanoate

bromozinc(1+);methyl propanoate (PubChem CID 59343224) has the molecular formula C4H7BrO2Zn and a molecular weight of 232.39 g/mol. Its IUPAC name is bromozinc(1+);methyl propanoate.

Molecular Properties

Compound Namebromozinc(1+);methyl propanoate
PubChem CID59343224
Molecular FormulaC4H7BrO2Zn
Molecular Weight232.39 g/mol
Exact Mass229.89
IUPAC Namebromozinc(1+);methyl propanoate
SMILES[CH2-]CC(=O)OC.[Zn+]Br
InChIInChI=1S/C4H7O2.BrH.Zn/c1-3-4(5)6-2;;/h1,3H2,2H3;1H;/q-1;;+2/p-1
InChIKeyDRJFIDGHJCQXQP-UHFFFAOYSA-M
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.23
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

bromozinc(1+);methyl 3-methanidylbutanoate
CID 155743188
iodozinc(1+);methyl hexanoate
CID 72738635
methyl 2-bromoacetate
CID 10487067
CID 87726616
CID 87726616
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl tricosanedioate
CID 12632762
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
methyl 20-bromoicosanoate
CID 155895697

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);methyl propanoate?
The IUPAC name of bromozinc(1+);methyl propanoate (CID 59343224) is bromozinc(1+);methyl propanoate.
What is the SMILES notation for bromozinc(1+);methyl propanoate?
The canonical SMILES for bromozinc(1+);methyl propanoate is [CH2-]CC(=O)OC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);methyl propanoate?
The InChIKey is DRJFIDGHJCQXQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7O2.BrH.Zn/c1-3-4(5)6-2;;/h1,3H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);methyl propanoate?
bromozinc(1+);methyl propanoate has a molecular weight of 232.39 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);methyl propanoate is sourced from PubChem (CID 59343224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).