(3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one

C17H36O3Si — CID 134846267

IUPAC(3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one
SMILESCC[Si](CC)(CC)O[C@@H](CC(C)C)C(=O)C[C@@H](O)C(C)C
InChIInChI=1S/C17H36O3Si/c1-8-21(9-2,10-3)20-17(11-13(4)5)16(19)12-15(18)14(6)7/h13-15,17-18H,8-12H2,1-7H3/t15-,17+/m1/s1
InChIKeyMEMOIDVMFDJGJZ-WBVHZDCISA-N
MW316.56 g/mol
LogP4.40
Rot. Bonds11

About (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one

(3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one (PubChem CID 134846267) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one.

Molecular Properties

Compound Name(3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one
PubChem CID134846267
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name(3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one
SMILESCC[Si](CC)(CC)O[C@@H](CC(C)C)C(=O)C[C@@H](O)C(C)C
InChIInChI=1S/C17H36O3Si/c1-8-21(9-2,10-3)20-17(11-13(4)5)16(19)12-15(18)14(6)7/h13-15,17-18H,8-12H2,1-7H3/t15-,17+/m1/s1
InChIKeyMEMOIDVMFDJGJZ-WBVHZDCISA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,6S,7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,8-tetramethylnonan-5-one
CID 13891761
(3S,5S,6R)-6-hydroxy-2,2,5,7-tetramethyl-3-trimethylsilyloxyoctan-4-one
CID 12692191
(3S,5S,6S)-6-hydroxy-2,2,5,7,7-pentamethyl-3-trimethylsilyloxyoctan-4-one
CID 12692196
(1S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-4-hydroxy-3-methylhexan-2-one
CID 13545761
(1S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-4-hydroxy-3,5-dimethylhexan-2-one
CID 13545766
(3R,4S,6R,7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,8-tetramethylnonan-5-one
CID 13891763
(3R,4S,6R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,8-tetramethylnonan-5-one
CID 13891764
(3S,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one
CID 134835604
(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-4-hydroxy-3-methylbutan-2-one
CID 134870488
(4R,5S)-5-hydroxy-2,4,6-trimethyl-2-trimethylsilyloxyheptan-3-one
CID 134892767
(3R,5R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxynonan-4-one
CID 134944453
(2S,3S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,7-dimethyl-2-triethylsilyl-8-triethylsilyloxydecan-4-one
CID 162397163

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one?
The IUPAC name of (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one (CID 134846267) is (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one.
What is the SMILES notation for (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one?
The canonical SMILES for (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one is CC[Si](CC)(CC)O[C@@H](CC(C)C)C(=O)C[C@@H](O)C(C)C.
What is the InChIKey of (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one?
The InChIKey is MEMOIDVMFDJGJZ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H36O3Si/c1-8-21(9-2,10-3)20-17(11-13(4)5)16(19)12-15(18)14(6)7/h13-15,17-18H,8-12H2,1-7H3/t15-,17+/m1/s1.
What are the key properties of (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one?
(3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one has a molecular weight of 316.56 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-hydroxy-2,8-dimethyl-6-triethylsilyloxynonan-5-one is sourced from PubChem (CID 134846267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).