(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one

C12H24O3Si — CID 90005565

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)CCO1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-9-11-8-10(13)6-7-14-11/h11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyLVAMOOTWJVURGO-NSHDSACASA-N
MW244.41 g/mol
LogP2.76
Rot. Bonds3

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one (PubChem CID 90005565) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one
PubChem CID90005565
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)CCO1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-9-11-8-10(13)6-7-14-11/h11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyLVAMOOTWJVURGO-NSHDSACASA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one (CID 90005565) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)CCO1.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one?
The InChIKey is LVAMOOTWJVURGO-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-9-11-8-10(13)6-7-14-11/h11H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one has a molecular weight of 244.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one is sourced from PubChem (CID 90005565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).