methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate

C10H18O4Si — CID 100965125

IUPACmethyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C(C)=O)O[Si]1(C)C
InChIInChI=1S/C10H18O4Si/c1-7(11)10(2)6-8(9(12)13-3)15(4,5)14-10/h8H,6H2,1-5H3
InChIKeyVJPYXUJWCVQNJF-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.50
Rot. Bonds2

About methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate

methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate (PubChem CID 100965125) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate
PubChem CID100965125
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Namemethyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C(C)=O)O[Si]1(C)C
InChIInChI=1S/C10H18O4Si/c1-7(11)10(2)6-8(9(12)13-3)15(4,5)14-10/h8H,6H2,1-5H3
InChIKeyVJPYXUJWCVQNJF-UHFFFAOYSA-N
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate
CID 10870388
Methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate
CID 100965126

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate?
The IUPAC name of methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate (CID 100965125) is methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate is COC(=O)C1CC(C)(C(C)=O)O[Si]1(C)C.
What is the InChIKey of methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate?
The InChIKey is VJPYXUJWCVQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-7(11)10(2)6-8(9(12)13-3)15(4,5)14-10/h8H,6H2,1-5H3.
What are the key properties of methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate?
methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate has a molecular weight of 230.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2,2,5-trimethyloxasilolane-3-carboxylate is sourced from PubChem (CID 100965125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).