(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one

C13H28O2Si — CID 11715729

IUPAC(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
SMILESCCC(=O)[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)CC
InChIInChI=1S/C13H28O2Si/c1-8-10(3)13(15-16(5,6)7)11(4)12(14)9-2/h10-11,13H,8-9H2,1-7H3/t10-,11-,13-/m0/s1
InChIKeyKNLPQXJZOLNONQ-GVXVVHGQSA-N
MW244.45 g/mol
LogP3.87
Rot. Bonds7

About (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one

(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one (PubChem CID 11715729) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one.

Molecular Properties

Compound Name(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
PubChem CID11715729
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
SMILESCCC(=O)[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)CC
InChIInChI=1S/C13H28O2Si/c1-8-10(3)13(15-16(5,6)7)11(4)12(14)9-2/h10-11,13H,8-9H2,1-7H3/t10-,11-,13-/m0/s1
InChIKeyKNLPQXJZOLNONQ-GVXVVHGQSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal
CID 11437650
(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
CID 11557578
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 11821760
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 13891738
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383
1-(2-Trimethylsilyloxycyclopentyl)ethanone
CID 73197453
(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one
CID 134830919
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione
CID 134838174
4-Cyclohexyl-5-trimethylsilyloxyhexan-3-one
CID 134859510
CID 134890037
CID 134890037

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one?
The IUPAC name of (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one (CID 11715729) is (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one.
What is the SMILES notation for (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one?
The canonical SMILES for (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one is CCC(=O)[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)CC.
What is the InChIKey of (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one?
The InChIKey is KNLPQXJZOLNONQ-GVXVVHGQSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-10(3)13(15-16(5,6)7)11(4)12(14)9-2/h10-11,13H,8-9H2,1-7H3/t10-,11-,13-/m0/s1.
What are the key properties of (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one?
(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one has a molecular weight of 244.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one is sourced from PubChem (CID 11715729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).