methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate

C13H26O3Si — CID 18541895

IUPACmethyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate
SMILESCOC(=O)C/C(C)=C(\O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-10(9-11(14)15-5)12(13(2,3)4)16-17(6,7)8/h9H2,1-8H3/b12-10-
InChIKeyQIYRVRBMVSPRJN-BENRWUELSA-N
MW258.43 g/mol
LogP3.72
Rot. Bonds4

About methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate

methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate (PubChem CID 18541895) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate
PubChem CID18541895
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate
SMILESCOC(=O)C/C(C)=C(\O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-10(9-11(14)15-5)12(13(2,3)4)16-17(6,7)8/h9H2,1-8H3/b12-10-
InChIKeyQIYRVRBMVSPRJN-BENRWUELSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-chloro-3-methylpent-3-enoate
CID 71318191
methyl 2-(2-methyl-1-trimethylsilyloxyprop-1-enoxy)acetate
CID 23367657
methyl 4,4-dimethyl-3-methylidenepentanoate
CID 86181617
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
CID 87726616
CID 87726616
CID 172760784
CID 172760784
bis(trimethylsilyl) 2,2-dimethylbutanedioate
CID 521644
acetic acid;3-methoxy-3-oxopropanoic acid
CID 162325440
methanol;bis(methyl 3-oxobutanoate);titanium
CID 87237560
barium(2+);hydride;methyl 3-oxobutanoate
CID 173421403
trimethylsilyl 2-methoxy-2-methylpropanoate
CID 88550853
trimethylsilyl 2-(propanoylamino)acetate
CID 521686

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate?
The IUPAC name of methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate (CID 18541895) is methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate.
What is the SMILES notation for methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate?
The canonical SMILES for methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate is COC(=O)C/C(C)=C(\O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate?
The InChIKey is QIYRVRBMVSPRJN-BENRWUELSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10(9-11(14)15-5)12(13(2,3)4)16-17(6,7)8/h9H2,1-8H3/b12-10-.
What are the key properties of methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate?
methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3,5,5-trimethyl-4-trimethylsilyloxyhex-3-enoate is sourced from PubChem (CID 18541895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).