4-methyl-4-trimethylsilyloxyoxan-2-one

C9H18O3Si — CID 528660

IUPAC4-methyl-4-trimethylsilyloxyoxan-2-one
SMILESCC1(O[Si](C)(C)C)CCOC(=O)C1
InChIInChI=1S/C9H18O3Si/c1-9(12-13(2,3)4)5-6-11-8(10)7-9/h5-7H2,1-4H3
InChIKeyCNPIMSSHNMVFPM-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.93
Rot. Bonds2

About 4-methyl-4-trimethylsilyloxyoxan-2-one

4-methyl-4-trimethylsilyloxyoxan-2-one (PubChem CID 528660) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 4-methyl-4-trimethylsilyloxyoxan-2-one.

Molecular Properties

Compound Name4-methyl-4-trimethylsilyloxyoxan-2-one
PubChem CID528660
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name4-methyl-4-trimethylsilyloxyoxan-2-one
SMILESCC1(O[Si](C)(C)C)CCOC(=O)C1
InChIInChI=1S/C9H18O3Si/c1-9(12-13(2,3)4)5-6-11-8(10)7-9/h5-7H2,1-4H3
InChIKeyCNPIMSSHNMVFPM-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
2-{4-[(Tert-butyldimethylsilyl)oxy]oxan-4-yl}acetaldehyde
CID 125511585
Acetic acid, 4-methyl-2-oxotetrahydropyran-4-yl ester
CID 557666
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 45103255
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 72833382
Mevalonolactone, diTMS
CID 6430481
Ethyl 3-trimethylsilyloxy-3-methyl valerate
CID 552392
Ethyl 2-ethyl-3-methyl-3-trimethylsilyloxyvalerate
CID 553006
Pentanoic acid, 3-methyl-3,5-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553345
2H-Pyran-2-one, 4-[(tert-butyldimethylsilyl)oxy]tetrahydro-4-methyl-
CID 589237
4-[Tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-trimethylsilyloxyoxan-2-one?
The IUPAC name of 4-methyl-4-trimethylsilyloxyoxan-2-one (CID 528660) is 4-methyl-4-trimethylsilyloxyoxan-2-one.
What is the SMILES notation for 4-methyl-4-trimethylsilyloxyoxan-2-one?
The canonical SMILES for 4-methyl-4-trimethylsilyloxyoxan-2-one is CC1(O[Si](C)(C)C)CCOC(=O)C1.
What is the InChIKey of 4-methyl-4-trimethylsilyloxyoxan-2-one?
The InChIKey is CNPIMSSHNMVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-9(12-13(2,3)4)5-6-11-8(10)7-9/h5-7H2,1-4H3.
What are the key properties of 4-methyl-4-trimethylsilyloxyoxan-2-one?
4-methyl-4-trimethylsilyloxyoxan-2-one has a molecular weight of 202.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-trimethylsilyloxyoxan-2-one is sourced from PubChem (CID 528660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).