methyl 2-selanylacetate

C3H6O2Se — CID 171384637

IUPACmethyl 2-selanylacetate
SMILESCOC(=O)C[SeH]
InChIInChI=1S/C3H6O2Se/c1-5-3(4)2-6/h6H,2H2,1H3
InChIKeyJDTGJEJMIZCZIM-UHFFFAOYSA-N
MW153.04 g/mol
LogP-0.52
Rot. Bonds1

About methyl 2-selanylacetate

methyl 2-selanylacetate (PubChem CID 171384637) has the molecular formula C3H6O2Se and a molecular weight of 153.04 g/mol. Its IUPAC name is methyl 2-selanylacetate.

Molecular Properties

Compound Namemethyl 2-selanylacetate
PubChem CID171384637
Molecular FormulaC3H6O2Se
Molecular Weight153.04 g/mol
Exact Mass153.95
IUPAC Namemethyl 2-selanylacetate
SMILESCOC(=O)C[SeH]
InChIInChI=1S/C3H6O2Se/c1-5-3(4)2-6/h6H,2H2,1H3
InChIKeyJDTGJEJMIZCZIM-UHFFFAOYSA-N
XLogP-0.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.04
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87726616
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
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methyl propanoate;dihydrochloride
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methyl 2-bromoacetate
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(2-methoxy-2-oxoethyl)phosphanium bromide
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dimethyl tricosanedioate
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dimethyl pentanedioate;hydrochloride
CID 175168861
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
CID 45052167
CID 45052167
CID 172760784
CID 172760784
dimethyl hexanedioate;λ2-stannane
CID 173290075

Frequently Asked Questions

What is the IUPAC name of methyl 2-selanylacetate?
The IUPAC name of methyl 2-selanylacetate (CID 171384637) is methyl 2-selanylacetate.
What is the SMILES notation for methyl 2-selanylacetate?
The canonical SMILES for methyl 2-selanylacetate is COC(=O)C[SeH].
What is the InChIKey of methyl 2-selanylacetate?
The InChIKey is JDTGJEJMIZCZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2Se/c1-5-3(4)2-6/h6H,2H2,1H3.
What are the key properties of methyl 2-selanylacetate?
methyl 2-selanylacetate has a molecular weight of 153.04 g/mol, XLogP of -0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-selanylacetate is sourced from PubChem (CID 171384637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).