methyl 2-methylselanylpropanoate

C5H10O2Se — CID 134856861

IUPACmethyl 2-methylselanylpropanoate
SMILESCOC(=O)C(C)[Se]C
InChIInChI=1S/C5H10O2Se/c1-4(8-3)5(6)7-2/h4H,1-3H3
InChIKeyKSZAHZMZRYIVMW-UHFFFAOYSA-N
MW181.09 g/mol
LogP0.72
Rot. Bonds2

About methyl 2-methylselanylpropanoate

methyl 2-methylselanylpropanoate (PubChem CID 134856861) has the molecular formula C5H10O2Se and a molecular weight of 181.09 g/mol. Its IUPAC name is methyl 2-methylselanylpropanoate.

Molecular Properties

Compound Namemethyl 2-methylselanylpropanoate
PubChem CID134856861
Molecular FormulaC5H10O2Se
Molecular Weight181.09 g/mol
Exact Mass181.98
IUPAC Namemethyl 2-methylselanylpropanoate
SMILESCOC(=O)C(C)[Se]C
InChIInChI=1S/C5H10O2Se/c1-4(8-3)5(6)7-2/h4H,1-3H3
InChIKeyKSZAHZMZRYIVMW-UHFFFAOYSA-N
XLogP0.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 50.72
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

methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide
CID 59479666
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl 2-phenylselanylpropanoate
CID 5323788
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
methyl 2-methanidylpropanoate;zinc
CID 170330092

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylselanylpropanoate?
The IUPAC name of methyl 2-methylselanylpropanoate (CID 134856861) is methyl 2-methylselanylpropanoate.
What is the SMILES notation for methyl 2-methylselanylpropanoate?
The canonical SMILES for methyl 2-methylselanylpropanoate is COC(=O)C(C)[Se]C.
What is the InChIKey of methyl 2-methylselanylpropanoate?
The InChIKey is KSZAHZMZRYIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2Se/c1-4(8-3)5(6)7-2/h4H,1-3H3.
What are the key properties of methyl 2-methylselanylpropanoate?
methyl 2-methylselanylpropanoate has a molecular weight of 181.09 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylselanylpropanoate is sourced from PubChem (CID 134856861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).