4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one

C12H26O4Si2 — CID 6430481

IUPAC4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one
SMILESCC1(O[Si](C)(C)C)CC(=O)OC(O[Si](C)(C)C)C1
InChIInChI=1S/C12H26O4Si2/c1-12(16-18(5,6)7)8-10(13)14-11(9-12)15-17(2,3)4/h11H,8-9H2,1-7H3
InChIKeySMFIKCUWXUSFDR-UHFFFAOYSA-N
MW290.51 g/mol
LogP3.11
Rot. Bonds4

About 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one

4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one (PubChem CID 6430481) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one.

Molecular Properties

Compound Name4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one
PubChem CID6430481
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Name4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one
SMILESCC1(O[Si](C)(C)C)CC(=O)OC(O[Si](C)(C)C)C1
InChIInChI=1S/C12H26O4Si2/c1-12(16-18(5,6)7)8-10(13)14-11(9-12)15-17(2,3)4/h11H,8-9H2,1-7H3
InChIKeySMFIKCUWXUSFDR-UHFFFAOYSA-N
XLogP3.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.11
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

Mevalonic lactone, trimethylsilyl
CID 528660
Mevalonolactone TBDMS
CID 6430568
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
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-one
CID 58065771

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one?
The IUPAC name of 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one (CID 6430481) is 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one.
What is the SMILES notation for 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one?
The canonical SMILES for 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one is CC1(O[Si](C)(C)C)CC(=O)OC(O[Si](C)(C)C)C1.
What is the InChIKey of 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one?
The InChIKey is SMFIKCUWXUSFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-12(16-18(5,6)7)8-10(13)14-11(9-12)15-17(2,3)4/h11H,8-9H2,1-7H3.
What are the key properties of 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one?
4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one has a molecular weight of 290.51 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,6-bis(trimethylsilyloxy)oxan-2-one is sourced from PubChem (CID 6430481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).