(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one

C19H30O2Si — CID 101106032

IUPAC(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
SMILESC[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C19H30O2Si/c1-14-17(15-10-8-7-9-11-15)12-16(13-18(14)20)21-22(5,6)19(2,3)4/h7-11,14,16-17H,12-13H2,1-6H3/t14-,16-,17-/m1/s1
InChIKeyQKDDWAHKQNRIGA-DJIMGWMZSA-N
MW318.53 g/mol
LogP5.16
Rot. Bonds3

About (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one

(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one (PubChem CID 101106032) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
PubChem CID101106032
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
SMILESC[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C19H30O2Si/c1-14-17(15-10-8-7-9-11-15)12-16(13-18(14)20)21-22(5,6)19(2,3)4/h7-11,14,16-17H,12-13H2,1-6H3/t14-,16-,17-/m1/s1
InChIKeyQKDDWAHKQNRIGA-DJIMGWMZSA-N
XLogP5.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
CID 12061237
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane
CID 124630491
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one
CID 91080488
(2R,6S,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenyl-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10577331
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
CID 10521711
cis-(4S,5R)-4-methyl-5-phenylcyclohexane-1,3-dione
CID 59919081
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one?
The IUPAC name of (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one (CID 101106032) is (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one.
What is the SMILES notation for (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one?
The canonical SMILES for (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one is C[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one?
The InChIKey is QKDDWAHKQNRIGA-DJIMGWMZSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-14-17(15-10-8-7-9-11-15)12-16(13-18(14)20)21-22(5,6)19(2,3)4/h7-11,14,16-17H,12-13H2,1-6H3/t14-,16-,17-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one?
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one has a molecular weight of 318.53 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one is sourced from PubChem (CID 101106032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).