(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one

C13H26O3Si — CID 10083872

IUPAC(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
SMILESC[C@H]1COC(=O)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-8-15-12(14)10(2)11(9)16-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t9-,10+,11-/m0/s1
InChIKeyGPFONLRHFZWMIM-AXFHLTTASA-N
MW258.43 g/mol
LogP3.21
Rot. Bonds2

About (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one

(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one (PubChem CID 10083872) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
PubChem CID10083872
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
SMILESC[C@H]1COC(=O)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-8-15-12(14)10(2)11(9)16-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t9-,10+,11-/m0/s1
InChIKeyGPFONLRHFZWMIM-AXFHLTTASA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-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

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
Mevalonic lactone, trimethylsilyl
CID 528660
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanoate
CID 11266221
4-(Propan-2-yl)-3-(trimethylsilyl)oxetan-2-one
CID 12426049
(3R,4S)-4-propan-2-yl-3-trimethylsilyloxetan-2-one
CID 12426050
(3R,4R)-4-propan-2-yl-3-trimethylsilyloxetan-2-one
CID 12426051
(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
CID 15547025
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 45103255
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 72833382

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one?
The IUPAC name of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one (CID 10083872) is (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one.
What is the SMILES notation for (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one?
The canonical SMILES for (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one is C[C@H]1COC(=O)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one?
The InChIKey is GPFONLRHFZWMIM-AXFHLTTASA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-8-15-12(14)10(2)11(9)16-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t9-,10+,11-/m0/s1.
What are the key properties of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one?
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one has a molecular weight of 258.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one is sourced from PubChem (CID 10083872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).