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

C13H28O3Si — CID 134972438

IUPAC(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one
SMILESCC(=O)[C@H](O)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(14)11(15)13(5,6)9-16-17(7,8)12(2,3)4/h11,15H,9H2,1-8H3/t11-/m0/s1
InChIKeyVEUFBEHHWOGLIF-NSHDSACASA-N
MW260.45 g/mol
LogP2.98
Rot. Bonds5

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

(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one (PubChem CID 134972438) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one
PubChem CID134972438
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one
SMILESCC(=O)[C@H](O)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(14)11(15)13(5,6)9-16-17(7,8)12(2,3)4/h11,15H,9H2,1-8H3/t11-/m0/s1
InChIKeyVEUFBEHHWOGLIF-NSHDSACASA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(-)-(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 10633359
(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 3481460
5-[Tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-one
CID 53927944
3-Hydroxy-5-methoxy-4,4-dimethylpentan-2-one
CID 132222493
1-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 17911697
(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
CID 101410808
4-[Tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,5-dimethylhex-1-yn-3-one
CID 102020462
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 124629464

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one?
The IUPAC name of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one (CID 134972438) is (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one.
What is the SMILES notation for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one?
The canonical SMILES for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one is CC(=O)[C@H](O)C(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one?
The InChIKey is VEUFBEHHWOGLIF-NSHDSACASA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(14)11(15)13(5,6)9-16-17(7,8)12(2,3)4/h11,15H,9H2,1-8H3/t11-/m0/s1.
What are the key properties of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one?
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one has a molecular weight of 260.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one is sourced from PubChem (CID 134972438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).