(2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one

C12H22O4Si — CID 135075701

IUPAC(2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-9(13)10-6-7-11(14)16-10/h6-7,9-10,13H,8H2,1-5H3/t9-,10+/m0/s1
InChIKeySWTNJEYZINJYNM-VHSXEESVSA-N
MW258.39 g/mol
LogP1.85
Rot. Bonds4

About (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one

(2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one (PubChem CID 135075701) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one
PubChem CID135075701
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name(2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-9(13)10-6-7-11(14)16-10/h6-7,9-10,13H,8H2,1-5H3/t9-,10+/m0/s1
InChIKeySWTNJEYZINJYNM-VHSXEESVSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(4S,8-diacetyloxy-2,6-octadiene
CID 5468986
Ethyl-(4S,6-octadienoate
CID 5468988
Methyl (2E)(4S)-6-hydroxy-5,5-dimethyl-4-(1,1,2,2-tetramethyl-1-silapropoxy)hex-2-enoate
CID 10935552
Ethyl (4R*,5R*)-(E)-4-hydroxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
CID 11493008
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate
CID 11290125
ethyl (E,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enoate
CID 11358559
[(3S,4S,5E,8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7-oxonona-1,5-dien-4-yl] prop-2-enoate
CID 11508665
(2S,3S)-2-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxopent-1-enyl]-3-hydroxy-2,3-dihydropyran-6-one
CID 11624020
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 13006406
methyl (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypent-2-enoate
CID 17756451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one (CID 135075701) is (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC[C@H](O)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one?
The InChIKey is SWTNJEYZINJYNM-VHSXEESVSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)15-8-9(13)10-6-7-11(14)16-10/h6-7,9-10,13H,8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one?
(2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one has a molecular weight of 258.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one is sourced from PubChem (CID 135075701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).