ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate

C15H30O5Si — CID 10687057

IUPACethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate
SMILESC=C(C[C@H](O)C(=O)OCC)[C@@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C15H30O5Si/c1-7-19-15(17)14(16)10-12(2)13(3)20-11-18-8-9-21(4,5)6/h13-14,16H,2,7-11H2,1,3-6H3/t13-,14+/m1/s1
InChIKeyGOINHAJGOJEFOF-KGLIPLIRSA-N
MW318.49 g/mol
LogP2.57
Rot. Bonds11

About ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate

ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate (PubChem CID 10687057) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate.

Molecular Properties

Compound Nameethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate
PubChem CID10687057
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Nameethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate
SMILESC=C(C[C@H](O)C(=O)OCC)[C@@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C15H30O5Si/c1-7-19-15(17)14(16)10-12(2)13(3)20-11-18-8-9-21(4,5)6/h13-14,16H,2,7-11H2,1,3-6H3/t13-,14+/m1/s1
InChIKeyGOINHAJGOJEFOF-KGLIPLIRSA-N
XLogP2.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate 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

[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
CID 135028262

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate?
The IUPAC name of ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate (CID 10687057) is ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate.
What is the SMILES notation for ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate?
The canonical SMILES for ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate is C=C(C[C@H](O)C(=O)OCC)[C@@H](C)OCOCC[Si](C)(C)C.
What is the InChIKey of ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate?
The InChIKey is GOINHAJGOJEFOF-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-7-19-15(17)14(16)10-12(2)13(3)20-11-18-8-9-21(4,5)6/h13-14,16H,2,7-11H2,1,3-6H3/t13-,14+/m1/s1.
What are the key properties of ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate?
ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate has a molecular weight of 318.49 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,5R)-2-hydroxy-4-methylidene-5-(2-trimethylsilylethoxymethoxy)hexanoate is sourced from PubChem (CID 10687057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).