ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate

C14H32O2Si2 — CID 138984105

IUPACethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
SMILESCCOC(=O)[C@H]([C@@H](CC)C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H32O2Si2/c1-9-12(11-17(3,4)5)13(18(6,7)8)14(15)16-10-2/h12-13H,9-11H2,1-8H3/t12-,13-/m0/s1
InChIKeyKGXILDWPAXYPTN-STQMWFEESA-N
MW288.58 g/mol
LogP4.62
Rot. Bonds7

About ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate

ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate (PubChem CID 138984105) has the molecular formula C14H32O2Si2 and a molecular weight of 288.58 g/mol. Its IUPAC name is ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
PubChem CID138984105
Molecular FormulaC14H32O2Si2
Molecular Weight288.58 g/mol
Exact Mass288.19
IUPAC Nameethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate
SMILESCCOC(=O)[C@H]([C@@H](CC)C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H32O2Si2/c1-9-12(11-17(3,4)5)13(18(6,7)8)14(15)16-10-2/h12-13H,9-11H2,1-8H3/t12-,13-/m0/s1
InChIKeyKGXILDWPAXYPTN-STQMWFEESA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
The IUPAC name of ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate (CID 138984105) is ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate.
What is the SMILES notation for ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
The canonical SMILES for ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate is CCOC(=O)[C@H]([C@@H](CC)C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
The InChIKey is KGXILDWPAXYPTN-STQMWFEESA-N. The full InChI is InChI=1S/C14H32O2Si2/c1-9-12(11-17(3,4)5)13(18(6,7)8)14(15)16-10-2/h12-13H,9-11H2,1-8H3/t12-,13-/m0/s1.
What are the key properties of ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate?
ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate has a molecular weight of 288.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-2-trimethylsilyl-3-(trimethylsilylmethyl)pentanoate is sourced from PubChem (CID 138984105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).