methyl 2,3-dimethyl-2-silylpentanoate

C8H18O2Si — CID 173470080

IUPACmethyl 2,3-dimethyl-2-silylpentanoate
SMILESCCC(C)C(C)([SiH3])C(=O)OC
InChIInChI=1S/C8H18O2Si/c1-5-6(2)8(3,11)7(9)10-4/h6H,5H2,1-4,11H3
InChIKeyYBKASKZTSSBLEB-UHFFFAOYSA-N
MW174.32 g/mol
LogP0.75
Rot. Bonds3

About methyl 2,3-dimethyl-2-silylpentanoate

methyl 2,3-dimethyl-2-silylpentanoate (PubChem CID 173470080) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is methyl 2,3-dimethyl-2-silylpentanoate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-2-silylpentanoate
PubChem CID173470080
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Namemethyl 2,3-dimethyl-2-silylpentanoate
SMILESCCC(C)C(C)([SiH3])C(=O)OC
InChIInChI=1S/C8H18O2Si/c1-5-6(2)8(3,11)7(9)10-4/h6H,5H2,1-4,11H3
InChIKeyYBKASKZTSSBLEB-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 50.75
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 2-ethyl-2,3-dimethylpentanoate
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2,2-di(butan-2-yl)-3-(2,2-dimethylpropyl)-3-methoxycarbonyl-5,5-dimethylhexanoic acid
CID 174993789
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
methyl 2-methyl-2-(trifluoromethyl)butanoate
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methyl 2-methylbutanoate;1,1,1-trifluoroethane
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dimethyl 2-methyl-2-[(2R)-1-nitropropan-2-yl]propanedioate
CID 134952157
acetyl 2,2,3-trimethylpentanoate
CID 138692448
methyl (2R,3S)-2-bromo-3-methoxy-2-methylpentanoate
CID 102110965
magnesium 2-butan-2-yl-2-methylpropanedioate
CID 153424031
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CID 87522003

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-2-silylpentanoate?
The IUPAC name of methyl 2,3-dimethyl-2-silylpentanoate (CID 173470080) is methyl 2,3-dimethyl-2-silylpentanoate.
What is the SMILES notation for methyl 2,3-dimethyl-2-silylpentanoate?
The canonical SMILES for methyl 2,3-dimethyl-2-silylpentanoate is CCC(C)C(C)([SiH3])C(=O)OC.
What is the InChIKey of methyl 2,3-dimethyl-2-silylpentanoate?
The InChIKey is YBKASKZTSSBLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-6(2)8(3,11)7(9)10-4/h6H,5H2,1-4,11H3.
What are the key properties of methyl 2,3-dimethyl-2-silylpentanoate?
methyl 2,3-dimethyl-2-silylpentanoate has a molecular weight of 174.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-2-silylpentanoate is sourced from PubChem (CID 173470080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).