methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate

C14H26O3Si — CID 15522237

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC
InChIInChI=1S/C14H26O3Si/c1-9-10-12(11(2)13(15)16-6)17-18(7,8)14(3,4)5/h9,12H,1-2,10H2,3-8H3
InChIKeyAEMGJPBJXOEVQH-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.68
Rot. Bonds6

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

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate (PubChem CID 15522237) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate
PubChem CID15522237
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC
InChIInChI=1S/C14H26O3Si/c1-9-10-12(11(2)13(15)16-6)17-18(7,8)14(3,4)5/h9,12H,1-2,10H2,3-8H3
InChIKeyAEMGJPBJXOEVQH-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.68
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate (CID 15522237) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate is C=CCC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate?
The InChIKey is AEMGJPBJXOEVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-9-10-12(11(2)13(15)16-6)17-18(7,8)14(3,4)5/h9,12H,1-2,10H2,3-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehex-5-enoate is sourced from PubChem (CID 15522237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).