methyl 2-silylbutanoate

C5H12O2Si — CID 174805276

IUPACmethyl 2-silylbutanoate
SMILESCCC([SiH3])C(=O)OC
InChIInChI=1S/C5H12O2Si/c1-3-4(8)5(6)7-2/h4H,3H2,1-2,8H3
InChIKeyOHOCVXNNESDWBE-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.28
Rot. Bonds2

About methyl 2-silylbutanoate

methyl 2-silylbutanoate (PubChem CID 174805276) has the molecular formula C5H12O2Si and a molecular weight of 132.23 g/mol. Its IUPAC name is methyl 2-silylbutanoate.

Molecular Properties

Compound Namemethyl 2-silylbutanoate
PubChem CID174805276
Molecular FormulaC5H12O2Si
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Namemethyl 2-silylbutanoate
SMILESCCC([SiH3])C(=O)OC
InChIInChI=1S/C5H12O2Si/c1-3-4(8)5(6)7-2/h4H,3H2,1-2,8H3
InChIKeyOHOCVXNNESDWBE-UHFFFAOYSA-N
XLogP-0.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.28
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

bis(methyl (2S)-2-aminobutanoate);dihydrochloride
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CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
methyl (2R)-2-amino-3-ethylpentanoate;hydrochloride
CID 87789576
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
methyl (2R)-2-(diethylamino)butanoate
CID 30030921
1-methoxy-1-oxobutane-2-sulfinic acid
CID 91158451
methyl (2S)-2-acetamidobutanoate
CID 11084154

Frequently Asked Questions

What is the IUPAC name of methyl 2-silylbutanoate?
The IUPAC name of methyl 2-silylbutanoate (CID 174805276) is methyl 2-silylbutanoate.
What is the SMILES notation for methyl 2-silylbutanoate?
The canonical SMILES for methyl 2-silylbutanoate is CCC([SiH3])C(=O)OC.
What is the InChIKey of methyl 2-silylbutanoate?
The InChIKey is OHOCVXNNESDWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2Si/c1-3-4(8)5(6)7-2/h4H,3H2,1-2,8H3.
What are the key properties of methyl 2-silylbutanoate?
methyl 2-silylbutanoate has a molecular weight of 132.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-silylbutanoate is sourced from PubChem (CID 174805276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).