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

C14H28O3Si — CID 11208037

IUPACmethyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate
SMILESCOC(=O)/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h9,11H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyJJPAPLIMGXUCNF-PKNBQFBNSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

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

methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate (PubChem CID 11208037) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate
PubChem CID11208037
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate
SMILESCOC(=O)/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h9,11H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyJJPAPLIMGXUCNF-PKNBQFBNSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
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'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (2E,4S)-4-[(tert-butyldimethylsilyl)oxy]pent-2-enoate
CID 11118755
methyl (Z)-2-trimethylsilylhept-2-enoate
CID 12715300
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 (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
CID 14617535
methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate
CID 14617537
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090

Frequently Asked Questions

What is the IUPAC name of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
The IUPAC name of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate (CID 11208037) is methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate.
What is the SMILES notation for methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
The canonical SMILES for methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate is COC(=O)/C=C/CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
The InChIKey is JJPAPLIMGXUCNF-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h9,11H,7-8,10,12H2,1-6H3/b11-9+.
What are the key properties of methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
methyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 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]oxyhept-2-enoate is sourced from PubChem (CID 11208037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).