(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one

C12H26O4Si — CID 16756247

IUPAC(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
SMILESCC(=O)[C@H](O)[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-9(13)11(15)10(14)7-8-16-17(5,6)12(2,3)4/h10-11,14-15H,7-8H2,1-6H3/t10-,11-/m0/s1
InChIKeyNEUXIKWKRPUTFT-QWRGUYRKSA-N
MW262.42 g/mol
LogP1.71
Rot. Bonds6

About (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one

(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one (PubChem CID 16756247) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one.

Molecular Properties

Compound Name(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
PubChem CID16756247
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
SMILESCC(=O)[C@H](O)[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-9(13)11(15)10(14)7-8-16-17(5,6)12(2,3)4/h10-11,14-15H,7-8H2,1-6H3/t10-,11-/m0/s1
InChIKeyNEUXIKWKRPUTFT-QWRGUYRKSA-N
XLogP1.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one
CID 88585104
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
CID 71513664
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one?
The IUPAC name of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one (CID 16756247) is (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one.
What is the SMILES notation for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one?
The canonical SMILES for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one is CC(=O)[C@H](O)[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one?
The InChIKey is NEUXIKWKRPUTFT-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-9(13)11(15)10(14)7-8-16-17(5,6)12(2,3)4/h10-11,14-15H,7-8H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one?
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one has a molecular weight of 262.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one is sourced from PubChem (CID 16756247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).