ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

C16H32O3Si — CID 23642892

IUPACethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCCC[C@H](C/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-11-14(12-10-13-15(17)18-9-2)19-20(6,7)16(3,4)5/h10,13-14H,8-9,11-12H2,1-7H3/b13-10+/t14-/m1/s1
InChIKeyPJPGGCRXAZGJGG-JWAFFJSPSA-N
MW300.52 g/mol
LogP4.69
Rot. Bonds8

About ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (PubChem CID 23642892) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.

Molecular Properties

Compound Nameethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
PubChem CID23642892
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCCC[C@H](C/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-11-14(12-10-13-15(17)18-9-2)19-20(6,7)16(3,4)5/h10,13-14H,8-9,11-12H2,1-7H3/b13-10+/t14-/m1/s1
InChIKeyPJPGGCRXAZGJGG-JWAFFJSPSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate 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

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The IUPAC name of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (CID 23642892) is ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.
What is the SMILES notation for ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The canonical SMILES for ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is CCC[C@H](C/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The InChIKey is PJPGGCRXAZGJGG-JWAFFJSPSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-11-14(12-10-13-15(17)18-9-2)19-20(6,7)16(3,4)5/h10,13-14H,8-9,11-12H2,1-7H3/b13-10+/t14-/m1/s1.
What are the key properties of ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is sourced from PubChem (CID 23642892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).