ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

C16H32O3Si — CID 56641063

IUPACethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCCCC[C@@H](/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-10-11-14(12-13-15(17)18-9-2)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/b13-12-/t14-/m0/s1
InChIKeyLZQZMMZILIKGAP-DINCDJDBSA-N
MW300.52 g/mol
LogP4.69
Rot. Bonds8

About ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (PubChem CID 56641063) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
PubChem CID56641063
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCCCC[C@@H](/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-10-11-14(12-13-15(17)18-9-2)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/b13-12-/t14-/m0/s1
InChIKeyLZQZMMZILIKGAP-DINCDJDBSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.69
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

4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055
ethyl (E,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123856196
ethyl (4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123555180
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
methyl (E,4S,11R)-4-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-2-enoate
CID 102461121
ethyl 4-(trioxidanyl)dec-2-enoate
CID 150095448
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
ethyl (E,4R,18R)-18-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]nonadec-2-enoate
CID 102142229
ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate
CID 14737920
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The IUPAC name of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (CID 56641063) is ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.
What is the SMILES notation for ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The canonical SMILES for ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is CCCC[C@@H](/C=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The InChIKey is LZQZMMZILIKGAP-DINCDJDBSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-10-11-14(12-13-15(17)18-9-2)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/b13-12-/t14-/m0/s1.
What are the key properties of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is sourced from PubChem (CID 56641063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).