methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate

C14H26O4Si — CID 100965126

IUPACmethyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C(C)=O)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C14H26O4Si/c1-9(2)19(10(3)4)12(13(16)17-7)8-14(6,18-19)11(5)15/h9-10,12H,8H2,1-7H3
InChIKeyCMTGRZGRGBNRMU-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.06
Rot. Bonds4

About methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate

methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate (PubChem CID 100965126) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate
PubChem CID100965126
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namemethyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C(C)=O)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C14H26O4Si/c1-9(2)19(10(3)4)12(13(16)17-7)8-14(6,18-19)11(5)15/h9-10,12H,8H2,1-7H3
InChIKeyCMTGRZGRGBNRMU-UHFFFAOYSA-N
XLogP3.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.06
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-2,2,5-trimethyloxasilolane-3-carboxylate
CID 100965125

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate?
The IUPAC name of methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate (CID 100965126) is methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate is COC(=O)C1CC(C)(C(C)=O)O[Si]1(C(C)C)C(C)C.
What is the InChIKey of methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate?
The InChIKey is CMTGRZGRGBNRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-9(2)19(10(3)4)12(13(16)17-7)8-14(6,18-19)11(5)15/h9-10,12H,8H2,1-7H3.
What are the key properties of methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate?
methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate has a molecular weight of 286.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-5-methyl-2,2-di(propan-2-yl)oxasilolane-3-carboxylate is sourced from PubChem (CID 100965126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).