(2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one

C23H38O3Si — CID 134905445

IUPAC(2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one
SMILESC[C@H](C(=O)[C@](C)(O[Si](C)(C)C)c1ccccc1)[C@H](O)[C@@H](C)C1CCCCC1
InChIInChI=1S/C23H38O3Si/c1-17(19-13-9-7-10-14-19)21(24)18(2)22(25)23(3,26-27(4,5)6)20-15-11-8-12-16-20/h8,11-12,15-19,21,24H,7,9-10,13-14H2,1-6H3/t17-,18-,21+,23+/m0/s1
InChIKeyLCRPSXQUAZLXLG-MYEKKWIISA-N
MW390.64 g/mol
LogP5.54
Rot. Bonds8

About (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one

(2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one (PubChem CID 134905445) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one.

Molecular Properties

Compound Name(2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one
PubChem CID134905445
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Name(2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one
SMILESC[C@H](C(=O)[C@](C)(O[Si](C)(C)C)c1ccccc1)[C@H](O)[C@@H](C)C1CCCCC1
InChIInChI=1S/C23H38O3Si/c1-17(19-13-9-7-10-14-19)21(24)18(2)22(25)23(3,26-27(4,5)6)20-15-11-8-12-16-20/h8,11-12,15-19,21,24H,7,9-10,13-14H2,1-6H3/t17-,18-,21+,23+/m0/s1
InChIKeyLCRPSXQUAZLXLG-MYEKKWIISA-N
XLogP5.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one?
The IUPAC name of (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one (CID 134905445) is (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one.
What is the SMILES notation for (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one?
The canonical SMILES for (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one is C[C@H](C(=O)[C@](C)(O[Si](C)(C)C)c1ccccc1)[C@H](O)[C@@H](C)C1CCCCC1.
What is the InChIKey of (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one?
The InChIKey is LCRPSXQUAZLXLG-MYEKKWIISA-N. The full InChI is InChI=1S/C23H38O3Si/c1-17(19-13-9-7-10-14-19)21(24)18(2)22(25)23(3,26-27(4,5)6)20-15-11-8-12-16-20/h8,11-12,15-19,21,24H,7,9-10,13-14H2,1-6H3/t17-,18-,21+,23+/m0/s1.
What are the key properties of (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one?
(2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one has a molecular weight of 390.64 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6S)-6-cyclohexyl-5-hydroxy-4-methyl-2-phenyl-2-trimethylsilyloxyheptan-3-one is sourced from PubChem (CID 134905445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).