ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

C14H28O3Si — CID 14260361

IUPACethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCOC(=O)/C=C/C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-16-13(15)11-9-10-12(2)17-18(6,7)14(3,4)5/h9,11-12H,8,10H2,1-7H3/b11-9+/t12-/m0/s1
InChIKeyDVHUEBBAJKZMJV-ZKQHCESOSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds6

About ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (PubChem CID 14260361) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
PubChem CID14260361
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCOC(=O)/C=C/C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-16-13(15)11-9-10-12(2)17-18(6,7)14(3,4)5/h9,11-12H,8,10H2,1-7H3/b11-9+/t12-/m0/s1
InChIKeyDVHUEBBAJKZMJV-ZKQHCESOSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-2-fluoro-5-(tertbutyldimethylsilyloxy)-2-pentenoate
CID 59912784
Fur020
CID 9992141
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
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
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The IUPAC name of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (CID 14260361) is ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.
What is the SMILES notation for ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The canonical SMILES for ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is CCOC(=O)/C=C/C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The InChIKey is DVHUEBBAJKZMJV-ZKQHCESOSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-16-13(15)11-9-10-12(2)17-18(6,7)14(3,4)5/h9,11-12H,8,10H2,1-7H3/b11-9+/t12-/m0/s1.
What are the key properties of ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is sourced from PubChem (CID 14260361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).