methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate

C14H28O3Si — CID 5366489

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate
SMILESCOC(=O)/C=C/C(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11(9-10-13(15)16-6)12(2)17-18(7,8)14(3,4)5/h9-12H,1-8H3/b10-9+
InChIKeyBMVJBJPOIJUDSC-MDZDMXLPSA-N
MW272.46 g/mol
LogP3.76
Rot. Bonds5

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate (PubChem CID 5366489) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate
PubChem CID5366489
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate
SMILESCOC(=O)/C=C/C(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11(9-10-13(15)16-6)12(2)17-18(7,8)14(3,4)5/h9-12H,1-8H3/b10-9+
InChIKeyBMVJBJPOIJUDSC-MDZDMXLPSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate (CID 5366489) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate is COC(=O)/C=C/C(C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate?
The InChIKey is BMVJBJPOIJUDSC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11(9-10-13(15)16-6)12(2)17-18(7,8)14(3,4)5/h9-12H,1-8H3/b10-9+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.76, 5 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-4-methylhex-2-enoate is sourced from PubChem (CID 5366489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).