ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate

C16H34O2Si — CID 138984282

IUPACethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate
SMILESCCOC(=O)[C@H]([C@@H](CC)C(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C16H34O2Si/c1-8-14(13(6)7)15(16(17)18-9-2)19(10-3,11-4)12-5/h13-15H,8-12H2,1-7H3/t14-,15-/m0/s1
InChIKeyWRCLTFRBIQVXHO-GJZGRUSLSA-N
MW286.53 g/mol
LogP5.11
Rot. Bonds9

About ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate

ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate (PubChem CID 138984282) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate
PubChem CID138984282
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nameethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate
SMILESCCOC(=O)[C@H]([C@@H](CC)C(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C16H34O2Si/c1-8-14(13(6)7)15(16(17)18-9-2)19(10-3,11-4)12-5/h13-15H,8-12H2,1-7H3/t14-,15-/m0/s1
InChIKeyWRCLTFRBIQVXHO-GJZGRUSLSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.11
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

methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpentanoate
CID 11953529
ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate
CID 138984010
ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
CID 138984105
ethyl (2S,3R)-4-methyl-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
CID 138984204
Ethyl 3-ethyl-2-trimethylsilylpentanoate
CID 145865785
Ethyl 3-methyl-2-trimethylsilylpentanoate
CID 145865786
Ethyl 3-ethyl-2-triethylsilylpentanoate
CID 145865788
ethyl (2S,3S)-3-ethyl-4-methyl-2-trimethylsilylpentanoate
CID 145865789
Ethyl 2-(1,1-dimethylsilolan-3-yl)acetate
CID 12538827
3-Tri(propan-2-yl)silylpropyl 2,4-dimethylpentanoate
CID 57710691
3-(2-Methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 58160661
methyl (2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpentanoate
CID 58591556

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate?
The IUPAC name of ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate (CID 138984282) is ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate.
What is the SMILES notation for ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate?
The canonical SMILES for ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate is CCOC(=O)[C@H]([C@@H](CC)C(C)C)[Si](CC)(CC)CC.
What is the InChIKey of ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate?
The InChIKey is WRCLTFRBIQVXHO-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-14(13(6)7)15(16(17)18-9-2)19(10-3,11-4)12-5/h13-15H,8-12H2,1-7H3/t14-,15-/m0/s1.
What are the key properties of ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate?
ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate has a molecular weight of 286.53 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate is sourced from PubChem (CID 138984282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).