methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate

C8H18O4Si — CID 57354389

IUPACmethyl 3-(dimethoxymethylsilyl)-2-methylpropanoate
SMILESCOC(=O)C(C)C[SiH2]C(OC)OC
InChIInChI=1S/C8H18O4Si/c1-6(7(9)10-2)5-13-8(11-3)12-4/h6,8H,5,13H2,1-4H3
InChIKeyLKFWGIAEKZLABF-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.04
Rot. Bonds6

About methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate

methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate (PubChem CID 57354389) has the molecular formula C8H18O4Si and a molecular weight of 206.31 g/mol. Its IUPAC name is methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(dimethoxymethylsilyl)-2-methylpropanoate
PubChem CID57354389
Molecular FormulaC8H18O4Si
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Namemethyl 3-(dimethoxymethylsilyl)-2-methylpropanoate
SMILESCOC(=O)C(C)C[SiH2]C(OC)OC
InChIInChI=1S/C8H18O4Si/c1-6(7(9)10-2)5-13-8(11-3)12-4/h6,8H,5,13H2,1-4H3
InChIKeyLKFWGIAEKZLABF-UHFFFAOYSA-N
XLogP-0.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate?
The IUPAC name of methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate (CID 57354389) is methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate is COC(=O)C(C)C[SiH2]C(OC)OC.
What is the InChIKey of methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate?
The InChIKey is LKFWGIAEKZLABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4Si/c1-6(7(9)10-2)5-13-8(11-3)12-4/h6,8H,5,13H2,1-4H3.
What are the key properties of methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate?
methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate has a molecular weight of 206.31 g/mol, XLogP of -0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethoxymethylsilyl)-2-methylpropanoate is sourced from PubChem (CID 57354389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).