(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one

C12H24O4Si — CID 11288440

IUPAC(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-8-6-9(13)11(15)10(14)7-8/h8-9,11,13,15H,6-7H2,1-5H3/t8-,9-,11-/m0/s1
InChIKeyBBBKLYSZRXQXDC-QXEWZRGKSA-N
MW260.41 g/mol
LogP1.46
Rot. Bonds2

About (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one

(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one (PubChem CID 11288440) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one.

Molecular Properties

Compound Name(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
PubChem CID11288440
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-8-6-9(13)11(15)10(14)7-8/h8-9,11,13,15H,6-7H2,1-5H3/t8-,9-,11-/m0/s1
InChIKeyBBBKLYSZRXQXDC-QXEWZRGKSA-N
XLogP1.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.46
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

cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
CID 101106032
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one
CID 91080488
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
(3S,3aR,5S,6R,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 11558490
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
cis-(2S,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15109329
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetic acid
CID 68542742
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
CID 163922960
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(trichloromethyl)oxan-2-one
CID 15341503
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one?
The IUPAC name of (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one (CID 11288440) is (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one.
What is the SMILES notation for (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one?
The canonical SMILES for (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one?
The InChIKey is BBBKLYSZRXQXDC-QXEWZRGKSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-8-6-9(13)11(15)10(14)7-8/h8-9,11,13,15H,6-7H2,1-5H3/t8-,9-,11-/m0/s1.
What are the key properties of (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one?
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one has a molecular weight of 260.41 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one is sourced from PubChem (CID 11288440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).