2-ethyl-2-(1-trimethylsilylpropyl)propanedioate

C11H20O4Si-2 — CID 53422352

IUPAC2-ethyl-2-(1-trimethylsilylpropyl)propanedioate
SMILESCCC(C(CC)(C(=O)[O-])C(=O)[O-])[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-8(16(3,4)5)11(7-2,9(12)13)10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)/p-2
InChIKeyDIDRLNUGJKOGAO-UHFFFAOYSA-L
MW244.36 g/mol
LogP0.00
Rot. Bonds6

About 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate

2-ethyl-2-(1-trimethylsilylpropyl)propanedioate (PubChem CID 53422352) has the molecular formula C11H20O4Si-2 and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate.

Molecular Properties

Compound Name2-ethyl-2-(1-trimethylsilylpropyl)propanedioate
PubChem CID53422352
Molecular FormulaC11H20O4Si-2
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name2-ethyl-2-(1-trimethylsilylpropyl)propanedioate
SMILESCCC(C(CC)(C(=O)[O-])C(=O)[O-])[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-6-8(16(3,4)5)11(7-2,9(12)13)10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)/p-2
InChIKeyDIDRLNUGJKOGAO-UHFFFAOYSA-L
XLogP0.00
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.00
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 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate?
The IUPAC name of 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate (CID 53422352) is 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate.
What is the SMILES notation for 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate?
The canonical SMILES for 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate is CCC(C(CC)(C(=O)[O-])C(=O)[O-])[Si](C)(C)C.
What is the InChIKey of 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate?
The InChIKey is DIDRLNUGJKOGAO-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H22O4Si/c1-6-8(16(3,4)5)11(7-2,9(12)13)10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)/p-2.
What are the key properties of 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate?
2-ethyl-2-(1-trimethylsilylpropyl)propanedioate has a molecular weight of 244.36 g/mol, XLogP of 0.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1-trimethylsilylpropyl)propanedioate is sourced from PubChem (CID 53422352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).