(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one

C13H26O4Si — CID 134998093

IUPAC(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)[C@@](C)([C@](C)(O)[Si](C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-11(2,3)10-16-9(14)12(4,17-10)13(5,15)18(6,7)8/h10,15H,1-8H3/t10-,12+,13-/m1/s1
InChIKeyYLHAJGYPDWLOFM-KGYLQXTDSA-N
MW274.43 g/mol
LogP2.32
Rot. Bonds2

About (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one

(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one (PubChem CID 134998093) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one
PubChem CID134998093
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)[C@@](C)([C@](C)(O)[Si](C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-11(2,3)10-16-9(14)12(4,17-10)13(5,15)18(6,7)8/h10,15H,1-8H3/t10-,12+,13-/m1/s1
InChIKeyYLHAJGYPDWLOFM-KGYLQXTDSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.32
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-t-Butyl-5-methyl-[1,3]dioxolane-4-carboxylic acid
CID 582907
(2S,4S)-(2-tert-Butyl-4-methyl-5-oxo-[1,3]dioxolan-4-yl)-acetic acid
CID 13296187
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one
CID 134998306
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one
CID 134998307
1,3-Dioxolan-4-one, 2-(1,1-dimethylethyl)-5-(1-hydroxy-1-methylethyl)-5-methyl-, (2S-trans)-
CID 550757
2-t-Butyl-5-(1-hydroxyethyl)-5-methyl-[1,3]dioxolan-4-one
CID 550949
2-(2-Tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 13296186
2-(Dibutoxymethyl)-2-ethoxybutanoic acid
CID 19601184
(2S,5S)-2-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]-1,3-dioxolan-4-one
CID 173598297
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10356899
(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10446962
2-[(2S,4S)-2-tert-butyl-5-oxo-4-(trideuteriomethyl)-1,3-dioxolan-4-yl]acetic acid
CID 10911048

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one (CID 134998093) is (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one is CC(C)(C)[C@@H]1OC(=O)[C@@](C)([C@](C)(O)[Si](C)(C)C)O1.
What is the InChIKey of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one?
The InChIKey is YLHAJGYPDWLOFM-KGYLQXTDSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-11(2,3)10-16-9(14)12(4,17-10)13(5,15)18(6,7)8/h10,15H,1-8H3/t10-,12+,13-/m1/s1.
What are the key properties of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one?
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one has a molecular weight of 274.43 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one is sourced from PubChem (CID 134998093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).