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

C12H26O2Si — CID 11701394

IUPAC(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one
SMILESCCC(=O)[C@@H](C)[C@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-8-11(13)10(4)12(9(2)3)14-15(5,6)7/h9-10,12H,8H2,1-7H3/t10-,12-/m1/s1
InChIKeyFDYPGLLBVJPEIL-ZYHUDNBSSA-N
MW230.42 g/mol
LogP3.48
Rot. Bonds6

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

(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one (PubChem CID 11701394) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one.

Molecular Properties

Compound Name(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one
PubChem CID11701394
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one
SMILESCCC(=O)[C@@H](C)[C@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-8-11(13)10(4)12(9(2)3)14-15(5,6)7/h9-10,12H,8H2,1-7H3/t10-,12-/m1/s1
InChIKeyFDYPGLLBVJPEIL-ZYHUDNBSSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.48
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

(4S,5R,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 102183052
trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 553014
[(3S,4S)-2,4-dimethyl-5-oxoheptan-3-yl] methyl carbonate
CID 10775098
4,5,6-trimethylheptan-3-one
CID 123222791
4-methoxy-5-methylhexan-3-one
CID 83225971
(7R,8S)-7,9-dimethyl-8-trimethylsilyloxydecane-2,4-dione
CID 57223439
aluminum;2-methylpentan-3-one;triiodide
CID 163663533
6-methoxy-4,5-dimethylhexan-3-one
CID 79416996
[(2R,3S)-3-methyl-4-oxohexan-2-yl] acetate
CID 10931886
(4R,5S)-5-hydroxy-4-methylheptan-3-one
CID 10986363
[(3S,4S,5R)-3,5-dimethyl-6-oxooct-1-en-4-yl] acetate
CID 11715459
2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione
CID 23594314

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one?
The IUPAC name of (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one (CID 11701394) is (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one.
What is the SMILES notation for (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one?
The canonical SMILES for (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one is CCC(=O)[C@@H](C)[C@H](O[Si](C)(C)C)C(C)C.
What is the InChIKey of (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one?
The InChIKey is FDYPGLLBVJPEIL-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-11(13)10(4)12(9(2)3)14-15(5,6)7/h9-10,12H,8H2,1-7H3/t10-,12-/m1/s1.
What are the key properties of (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one?
(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one has a molecular weight of 230.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one is sourced from PubChem (CID 11701394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).