methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate

C16H32O3Si — CID 15921984

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate
SMILESCCC(C)(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O3Si/c1-10-16(6,14(17)18-7)12-11-13(2)19-20(8,9)15(3,4)5/h11-13H,10H2,1-9H3/b12-11+
InChIKeyBHVXRXITJUJRHB-VAWYXSNFSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds6

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate (PubChem CID 15921984) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate
PubChem CID15921984
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate
SMILESCCC(C)(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O3Si/c1-10-16(6,14(17)18-7)12-11-13(2)19-20(8,9)15(3,4)5/h11-13H,10H2,1-9H3/b12-11+
InChIKeyBHVXRXITJUJRHB-VAWYXSNFSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-propylhex-3-enoate
CID 15921986
methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 15921989
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
CID 15921993
[4-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexa-2,4-dien-1-yl]methyl 2,2-dimethylpropanoate
CID 44127228
[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enyl] 2,2-dimethylpropanoate
CID 134881042
methyl (5Z,8Z,11Z,14Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14,16-pentaenoate
CID 138982538
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate
CID 139263494
(6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
CID 54380575
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
CID 56612824
methyl (4Z,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-4,8-dienoate
CID 59372870
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 59372883

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate (CID 15921984) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate is CCC(C)(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate?
The InChIKey is BHVXRXITJUJRHB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-10-16(6,14(17)18-7)12-11-13(2)19-20(8,9)15(3,4)5/h11-13H,10H2,1-9H3/b12-11+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate is sourced from PubChem (CID 15921984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).