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

C15H30O4Si — CID 134998307

IUPAC(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one
SMILESCC[C@](O)([C@@]1(C)O[C@](C)(C(C)(C)C)OC1=O)[Si](C)(C)C
InChIInChI=1S/C15H30O4Si/c1-10-15(17,20(7,8)9)13(5)11(16)18-14(6,19-13)12(2,3)4/h17H,10H2,1-9H3/t13-,14+,15+/m0/s1
InChIKeyVXAYJUXEDFRZQV-RRFJBIMHSA-N
MW302.49 g/mol
LogP3.10
Rot. Bonds3

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

(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one (PubChem CID 134998307) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one
PubChem CID134998307
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one
SMILESCC[C@](O)([C@@]1(C)O[C@](C)(C(C)(C)C)OC1=O)[Si](C)(C)C
InChIInChI=1S/C15H30O4Si/c1-10-15(17,20(7,8)9)13(5)11(16)18-14(6,19-13)12(2,3)4/h17H,10H2,1-9H3/t13-,14+,15+/m0/s1
InChIKeyVXAYJUXEDFRZQV-RRFJBIMHSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-trimethylsilylethyl]-2,5-dimethyl-1,3-dioxolan-4-one
CID 134998306
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilyldecyl]-2,5-dimethyl-1,3-dioxolan-4-one
CID 134998310
5-(1-Hydroxy-2,2-dimethylpropyl)-2,2,5-trimethyl-1,3-dioxolan-4-one
CID 13435143
(4R,5R)-5-tert-butyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylic acid
CID 10878565
5-Tert-butyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylic acid
CID 15372076

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one (CID 134998307) is (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one is CC[C@](O)([C@@]1(C)O[C@](C)(C(C)(C)C)OC1=O)[Si](C)(C)C.
What is the InChIKey of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one?
The InChIKey is VXAYJUXEDFRZQV-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10-15(17,20(7,8)9)13(5)11(16)18-14(6,19-13)12(2,3)4/h17H,10H2,1-9H3/t13-,14+,15+/m0/s1.
What are the key properties of (2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one?
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one has a molecular weight of 302.49 g/mol, XLogP of 3.10, 3 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-trimethylsilylpropyl]-2,5-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 134998307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).