methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate

C15H30O3Si — CID 54374029

IUPACmethyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
SMILESCOC(=O)CCC=CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-13-11-9-7-8-10-12-14(16)17-4/h7-8H,9-13H2,1-6H3
InChIKeyUVFDTEKHRQLUHQ-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds8

About methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate

methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate (PubChem CID 54374029) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate.

Molecular Properties

Compound Namemethyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
PubChem CID54374029
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
SMILESCOC(=O)CCC=CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-13-11-9-7-8-10-12-14(16)17-4/h7-8H,9-13H2,1-6H3
InChIKeyUVFDTEKHRQLUHQ-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-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

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
cis-4,7,10,13,16,19-Docosahexaenoic acid, trimethylsilyl ester
CID 91696460
cis-4,7,10,13,16,19-Docosahexaenoic acid, tert-butyldimethylsilyl ester
CID 91697182
trans-4-Octenedioic acid, TMS
CID 91753103
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-4-enoic acid
CID 14035593
methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
CID 44521629
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405

Frequently Asked Questions

What is the IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
The IUPAC name of methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate (CID 54374029) is methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate.
What is the SMILES notation for methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
The canonical SMILES for methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate is COC(=O)CCC=CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
The InChIKey is UVFDTEKHRQLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-13-11-9-7-8-10-12-14(16)17-4/h7-8H,9-13H2,1-6H3.
What are the key properties of methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate?
methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate is sourced from PubChem (CID 54374029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).