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

C17H34O3Si — CID 45113372

IUPACtert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-16(2,3)20-15(18)13-11-9-10-12-14-19-21(7,8)17(4,5)6/h11,13H,9-10,12,14H2,1-8H3/b13-11+
InChIKeySZFPKXRXYGEOAZ-ACCUITESSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds7

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

tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate (PubChem CID 45113372) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate
PubChem CID45113372
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nametert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-16(2,3)20-15(18)13-11-9-10-12-14-19-21(7,8)17(4,5)6/h11,13H,9-10,12,14H2,1-8H3/b13-11+
InChIKeySZFPKXRXYGEOAZ-ACCUITESSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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 tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate with MolForge

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Related Compounds

ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
CID 5468978
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
Ethyl 12,12,12-trifluoro-11-methyl-11-triethylsilyloxydodeca-2,9-dienoate
CID 141012783
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
CID 10859995

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
The IUPAC name of tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate (CID 45113372) is tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate.
What is the SMILES notation for tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
The canonical SMILES for tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate is CC(C)(C)OC(=O)/C=C/CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
The InChIKey is SZFPKXRXYGEOAZ-ACCUITESSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-16(2,3)20-15(18)13-11-9-10-12-14-19-21(7,8)17(4,5)6/h11,13H,9-10,12,14H2,1-8H3/b13-11+.
What are the key properties of tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate?
tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate is sourced from PubChem (CID 45113372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).