methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate

C15H30O3Si — CID 134983282

IUPACmethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
SMILESCOC(=O)/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(14(16)17-5)11-9-8-10-12-18-19(6,7)15(2,3)4/h11H,8-10,12H2,1-7H3/b13-11+
InChIKeyPGNDOIWGFAFSTG-ACCUITESSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds7

About methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate

methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate (PubChem CID 134983282) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
PubChem CID134983282
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
SMILESCOC(=O)/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(14(16)17-5)11-9-8-10-12-18-19(6,7)15(2,3)4/h11H,8-10,12H2,1-7H3/b13-11+
InChIKeyPGNDOIWGFAFSTG-ACCUITESSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-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

methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
CID 14617535
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
butyl (E)-2-methylhept-2-enoate
CID 88326979
(E)-2-Pentenoic acid, 2-propyl, trimethylsilyl ester
CID 5352357
Methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate
CID 10967995
methyl (S,E)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-4-methylhex-2-enoate
CID 11045268
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972

Frequently Asked Questions

What is the IUPAC name of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate?
The IUPAC name of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate (CID 134983282) is methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate.
What is the SMILES notation for methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate?
The canonical SMILES for methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate is COC(=O)/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate?
The InChIKey is PGNDOIWGFAFSTG-ACCUITESSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-13(14(16)17-5)11-9-8-10-12-18-19(6,7)15(2,3)4/h11H,8-10,12H2,1-7H3/b13-11+.
What are the key properties of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate?
methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate is sourced from PubChem (CID 134983282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).