trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one

C19H38O2Si — CID 10860399

IUPACtrans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one
SMILESCC(C)[Si](OC[C@H](C)[C@@H]1CC[C@@H](C)CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H38O2Si/c1-13(2)22(14(3)4,15(5)6)21-12-17(8)18-10-9-16(7)11-19(18)20/h13-18H,9-12H2,1-8H3/t16-,17+,18+/m1/s1
InChIKeyZOUHKEQESUTGDF-SQNIBIBYSA-N
MW326.60 g/mol
LogP5.82
Rot. Bonds7

About trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one

trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one (PubChem CID 10860399) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one
PubChem CID10860399
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Nametrans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one
SMILESCC(C)[Si](OC[C@H](C)[C@@H]1CC[C@@H](C)CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H38O2Si/c1-13(2)22(14(3)4,15(5)6)21-12-17(8)18-10-9-16(7)11-19(18)20/h13-18H,9-12H2,1-8H3/t16-,17+,18+/m1/s1
InChIKeyZOUHKEQESUTGDF-SQNIBIBYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.82
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

3-(4-(2-((tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone
CID 496447
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(-)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl))-4,4-dimethylcyclohexanone
CID 57336727
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
(+)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl)-3-methylcyclohexanone
CID 131746606
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
CID 11312577
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520
3-[1-[Tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]cyclohexanone
CID 122214308

Frequently Asked Questions

What is the IUPAC name of trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one?
The IUPAC name of trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one (CID 10860399) is trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one.
What is the SMILES notation for trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one?
The canonical SMILES for trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one is CC(C)[Si](OC[C@H](C)[C@@H]1CC[C@@H](C)CC1=O)(C(C)C)C(C)C.
What is the InChIKey of trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one?
The InChIKey is ZOUHKEQESUTGDF-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-13(2)22(14(3)4,15(5)6)21-12-17(8)18-10-9-16(7)11-19(18)20/h13-18H,9-12H2,1-8H3/t16-,17+,18+/m1/s1.
What are the key properties of trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one?
trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one has a molecular weight of 326.60 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 10860399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).