(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one

C11H24O3Si — CID 101410808

IUPAC(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
SMILESC[C@H](O)C(=O)[C@@H](O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(12)9(13)10(11(2,3)4)14-15(5,6)7/h8,10,12H,1-7H3/t8-,10+/m0/s1
InChIKeyRBSHTVUULLFGBQ-WCBMZHEXSA-N
MW232.40 g/mol
LogP2.20
Rot. Bonds4

About (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one

(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one (PubChem CID 101410808) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
PubChem CID101410808
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
SMILESC[C@H](O)C(=O)[C@@H](O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(12)9(13)10(11(2,3)4)14-15(5,6)7/h8,10,12H,1-7H3/t8-,10+/m0/s1
InChIKeyRBSHTVUULLFGBQ-WCBMZHEXSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.20
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
(s)-4-Trimethylsilyloxy-5,5-dimethyl-3-hexanone
CID 12641556
(3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
CID 134944474
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one
CID 134972438
(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 3481460
3,5-Dihydroxy-2,2,6,6-tetramethylheptan-4-one
CID 58488534
2-Hydroxy-5,5-dimethylhexan-3-one
CID 90687432
5,5-Dimethyl-4-trimethylsilyloxyhexan-3-one
CID 12641555
2,2,5,5-Tetramethyl-4-[(trimethylsilyl)oxy]hexan-3-one
CID 13122095
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 (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
The IUPAC name of (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one (CID 101410808) is (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one.
What is the SMILES notation for (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
The canonical SMILES for (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one is C[C@H](O)C(=O)[C@@H](O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
The InChIKey is RBSHTVUULLFGBQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-8(12)9(13)10(11(2,3)4)14-15(5,6)7/h8,10,12H,1-7H3/t8-,10+/m0/s1.
What are the key properties of (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one?
(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one has a molecular weight of 232.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one is sourced from PubChem (CID 101410808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).