(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one

C12H22O3Si — CID 102466765

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=CCC(=O)O1
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)14-9-10-7-6-8-11(13)15-10/h6-7,10H,8-9H2,1-5H3/t10-/m0/s1
InChIKeyYZJWNERWSCSFRK-JTQLQIEISA-N
MW242.39 g/mol
LogP2.88
Rot. Bonds3

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one (PubChem CID 102466765) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one
PubChem CID102466765
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=CCC(=O)O1
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)14-9-10-7-6-8-11(13)15-10/h6-7,10H,8-9H2,1-5H3/t10-/m0/s1
InChIKeyYZJWNERWSCSFRK-JTQLQIEISA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
ethyl (2E,4S)-4-[(tert-butyldimethylsilyl)oxy]pent-2-enoate
CID 11118755
[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11333889
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701602
methyl (E,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701603
methyl (E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701604
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one (CID 102466765) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C=CCC(=O)O1.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one?
The InChIKey is YZJWNERWSCSFRK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)14-9-10-7-6-8-11(13)15-10/h6-7,10H,8-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyran-6-one has a molecular weight of 242.39 g/mol, XLogP of 2.88, 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]-2,5-dihydropyran-6-one is sourced from PubChem (CID 102466765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).