ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

C14H28O3Si — CID 10826090

IUPACethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCOC(=O)/C=C/CCCO[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/h9,11H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyCHTCKUXSRJBYEM-PKNBQFBNSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (PubChem CID 10826090) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
PubChem CID10826090
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCOC(=O)/C=C/CCCO[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/h9,11H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyCHTCKUXSRJBYEM-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)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
CID 135008103
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
ethyl (E)-7-aminohept-2-enoate
CID 55267330
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (CID 10826090) is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.
What is the SMILES notation for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The canonical SMILES for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is CCOC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The InChIKey is CHTCKUXSRJBYEM-PKNBQFBNSA-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/h9,11H,7-8,10,12H2,1-6H3/b11-9+.
What are the key properties of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-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 ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is sourced from PubChem (CID 10826090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).