dimethyl 2-(trimethylsilylmethyl)propanedioate

C9H18O4Si — CID 106324338

IUPACdimethyl 2-(trimethylsilylmethyl)propanedioate
SMILESCOC(=O)C(C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C9H18O4Si/c1-12-8(10)7(9(11)13-2)6-14(3,4)5/h7H,6H2,1-5H3
InChIKeyPITQUSWNMMHVFK-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.29
Rot. Bonds4

About dimethyl 2-(trimethylsilylmethyl)propanedioate

dimethyl 2-(trimethylsilylmethyl)propanedioate (PubChem CID 106324338) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is dimethyl 2-(trimethylsilylmethyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(trimethylsilylmethyl)propanedioate
PubChem CID106324338
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Namedimethyl 2-(trimethylsilylmethyl)propanedioate
SMILESCOC(=O)C(C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C9H18O4Si/c1-12-8(10)7(9(11)13-2)6-14(3,4)5/h7H,6H2,1-5H3
InChIKeyPITQUSWNMMHVFK-UHFFFAOYSA-N
XLogP1.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(trimethylsilylmethyl)propanedioate?
The IUPAC name of dimethyl 2-(trimethylsilylmethyl)propanedioate (CID 106324338) is dimethyl 2-(trimethylsilylmethyl)propanedioate.
What is the SMILES notation for dimethyl 2-(trimethylsilylmethyl)propanedioate?
The canonical SMILES for dimethyl 2-(trimethylsilylmethyl)propanedioate is COC(=O)C(C[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-(trimethylsilylmethyl)propanedioate?
The InChIKey is PITQUSWNMMHVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-12-8(10)7(9(11)13-2)6-14(3,4)5/h7H,6H2,1-5H3.
What are the key properties of dimethyl 2-(trimethylsilylmethyl)propanedioate?
dimethyl 2-(trimethylsilylmethyl)propanedioate has a molecular weight of 218.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(trimethylsilylmethyl)propanedioate is sourced from PubChem (CID 106324338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).