(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one

C12H22O3Si — CID 10538149

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-9-7-11(13)15-10(9)8-14-16(5,6)12(2,3)4/h7,10H,8H2,1-6H3/t10-/m1/s1
InChIKeyKLDSANYLZZTERR-SNVBAGLBSA-N
MW242.39 g/mol
LogP2.88
Rot. Bonds3

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one (PubChem CID 10538149) 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]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
PubChem CID10538149
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-9-7-11(13)15-10(9)8-14-16(5,6)12(2,3)4/h7,10H,8H2,1-6H3/t10-/m1/s1
InChIKeyKLDSANYLZZTERR-SNVBAGLBSA-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'}

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Related Compounds

Fur020
CID 9992141
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]-4-fluoro-2H-furan-5-one
CID 15403702
2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one
CID 54097710
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorofuran-2-one
CID 67491964
5-[[Dimethyl(2-methylpropyl)silyl]oxymethyl]-5-fluorofuran-2-one
CID 70977585
(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
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]-3-methyl-2H-furan-5-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one (CID 10538149) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one is CC1=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one?
The InChIKey is KLDSANYLZZTERR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-9-7-11(13)15-10(9)8-14-16(5,6)12(2,3)4/h7,10H,8H2,1-6H3/t10-/m1/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-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]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 10538149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).