ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

C14H28O3Si — CID 11659094

IUPACethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESCCOC(=O)CCC/C=C\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h10,12H,7-9,11H2,1-6H3/b12-10-
InChIKeyLVENUUBTIIFQOQ-BENRWUELSA-N
MW272.46 g/mol
LogP4.26
Rot. Bonds7

About ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (PubChem CID 11659094) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.

Molecular Properties

Compound Nameethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
PubChem CID11659094
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESCCOC(=O)CCC/C=C\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h10,12H,7-9,11H2,1-6H3/b12-10-
InChIKeyLVENUUBTIIFQOQ-BENRWUELSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
methyl (E)-6-triethylsilylhex-5-enoate
CID 164665111
5-Heptenoic acid, 6-methyl-2-(1,1,1-trimethylsilyl)-, ethyl ester
CID 543913
3-(Trimethylsilyl)-4-pentenoic acid ethyl ester
CID 14214593
2-Trimethylsilylethyl pent-4-enoate
CID 15360091

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The IUPAC name of ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (CID 11659094) is ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.
What is the SMILES notation for ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The canonical SMILES for ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is CCOC(=O)CCC/C=C\O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The InChIKey is LVENUUBTIIFQOQ-BENRWUELSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h10,12H,7-9,11H2,1-6H3/b12-10-.
What are the key properties of ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate has a molecular weight of 272.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is sourced from PubChem (CID 11659094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).