methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate

C14H28O4Si — CID 23241626

IUPACmethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
SMILESCC[C@H](CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h12H,8-10H2,1-7H3/t12-/m1/s1
InChIKeyABCYHTOVYPAMIW-GFCCVEGCSA-N
MW288.46 g/mol
LogP3.31
Rot. Bonds7

About methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate

methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate (PubChem CID 23241626) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate.

Molecular Properties

Compound Namemethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
PubChem CID23241626
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
SMILESCC[C@H](CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h12H,8-10H2,1-7H3/t12-/m1/s1
InChIKeyABCYHTOVYPAMIW-GFCCVEGCSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate 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

Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (2rs,5s)-5-[t-butyl(dimethyl)silyloxy]-2-hexyl-3-oxodecanoate
CID 129750920
Methyl (2rs,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-2-hexyl-3-oxohexadecanoate
CID 129758585
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
dimethyl (3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134930481
dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134934797
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
Dimethyl 3-trimethylsiloxy-heptanedioate
CID 552608
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11139869
Ethyl 3-oxo-5-trimethylsilyloxydecanoate
CID 17903907
Methyl 2-hexyl-3-oxo-5-trimethylsilyloxyhexadecanoate
CID 17903908

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
The IUPAC name of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate (CID 23241626) is methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate.
What is the SMILES notation for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
The canonical SMILES for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate is CC[C@H](CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
The InChIKey is ABCYHTOVYPAMIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h12H,8-10H2,1-7H3/t12-/m1/s1.
What are the key properties of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate?
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate has a molecular weight of 288.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate is sourced from PubChem (CID 23241626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).