1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate

C12H24O4Si — CID 87087805

IUPAC1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate
SMILESCOC(=O)CC(C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-10(8-11(13)15-2)9-12(14)16-6-7-17(3,4)5/h10H,6-9H2,1-5H3
InChIKeyOVYOXSJEEXDNMC-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.46
Rot. Bonds7

About 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate

1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate (PubChem CID 87087805) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate
PubChem CID87087805
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate
SMILESCOC(=O)CC(C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-10(8-11(13)15-2)9-12(14)16-6-7-17(3,4)5/h10H,6-9H2,1-5H3
InChIKeyOVYOXSJEEXDNMC-UHFFFAOYSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate (CID 87087805) is 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate is COC(=O)CC(C)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate?
The InChIKey is OVYOXSJEEXDNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-10(8-11(13)15-2)9-12(14)16-6-7-17(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate?
1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate has a molecular weight of 260.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-(2-trimethylsilylethyl) 3-methylpentanedioate is sourced from PubChem (CID 87087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).