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

C14H28O4Si — CID 134998306

IUPAC(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@]1(C)OC(=O)[C@@](C)([C@](C)(O)[Si](C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-11(2,3)14(6)17-10(15)12(4,18-14)13(5,16)19(7,8)9/h16H,1-9H3/t12-,13+,14+/m0/s1
InChIKeyVRUVNHUMAMLXIA-BFHYXJOUSA-N
MW288.46 g/mol
LogP2.71
Rot. Bonds2

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

(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one (PubChem CID 134998306) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one
PubChem CID134998306
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@]1(C)OC(=O)[C@@](C)([C@](C)(O)[Si](C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-11(2,3)14(6)17-10(15)12(4,18-14)13(5,16)19(7,8)9/h16H,1-9H3/t12-,13+,14+/m0/s1
InChIKeyVRUVNHUMAMLXIA-BFHYXJOUSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.71
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

(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methyl-1,3-dioxolan-4-one
CID 134998093
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one
CID 134998307
(2R,5S)-2-tert-butyl-5-(2-hydroxypropan-2-yl)-2-methyl-1,3-dioxolan-4-one
CID 54672551

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one (CID 134998306) is (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one is CC(C)(C)[C@]1(C)OC(=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]-2,5-dimethyl-1,3-dioxolan-4-one?
The InChIKey is VRUVNHUMAMLXIA-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(2,3)14(6)17-10(15)12(4,18-14)13(5,16)19(7,8)9/h16H,1-9H3/t12-,13+,14+/m0/s1.
What are the key properties of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one?
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one has a molecular weight of 288.46 g/mol, XLogP of 2.71, 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]-2,5-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 134998306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).