methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate

C14H28O4Si — CID 134987536

IUPACmethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate
SMILESCOC(=O)C[C@@H](C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-11(10-13(16)17-5)12(8-9-15)18-19(6,7)14(2,3)4/h9,11-12H,8,10H2,1-7H3/t11-,12-/m1/s1
InChIKeyKQTNLJMLWFZEMF-VXGBXAGGSA-N
MW288.46 g/mol
LogP3.16
Rot. Bonds7

About methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate (PubChem CID 134987536) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate
PubChem CID134987536
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate
SMILESCOC(=O)C[C@@H](C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-11(10-13(16)17-5)12(8-9-15)18-19(6,7)14(2,3)4/h9,11-12H,8,10H2,1-7H3/t11-,12-/m1/s1
InChIKeyKQTNLJMLWFZEMF-VXGBXAGGSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate with MolForge

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Related Compounds

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxepan-2-one
CID 11086444
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 138964688
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
CID 134744518
methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 58100761
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 76655841
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 87182773
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 90371787
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 124016518
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)propanal
CID 141638088
Methyl 2-ethyl-4-methoxy-6-oxohexanoate
CID 166712316
methyl (3S,4R,5R)-4-methoxy-3,5-dimethyl-6-oxohexanoate
CID 10888961

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate?
The IUPAC name of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate (CID 134987536) is methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate.
What is the SMILES notation for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate?
The canonical SMILES for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate is COC(=O)C[C@@H](C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate?
The InChIKey is KQTNLJMLWFZEMF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(10-13(16)17-5)12(8-9-15)18-19(6,7)14(2,3)4/h9,11-12H,8,10H2,1-7H3/t11-,12-/m1/s1.
What are the key properties of methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate?
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate has a molecular weight of 288.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate is sourced from PubChem (CID 134987536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).