trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate

C14H28O3Si2 — CID 5352353

IUPACtrimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate
SMILESC=CC/C(C(=O)O[Si](C)(C)C)=C(/CC)O[Si](C)(C)C
InChIInChI=1S/C14H28O3Si2/c1-9-11-12(14(15)17-19(6,7)8)13(10-2)16-18(3,4)5/h9H,1,10-11H2,2-8H3/b13-12+
InChIKeyANIJSCIMBKHJLX-OUKQBFOZSA-N
MW300.55 g/mol
LogP4.46
Rot. Bonds7

About trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate

trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate (PubChem CID 5352353) has the molecular formula C14H28O3Si2 and a molecular weight of 300.55 g/mol. Its IUPAC name is trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate
PubChem CID5352353
Molecular FormulaC14H28O3Si2
Molecular Weight300.55 g/mol
Exact Mass300.16
IUPAC Nametrimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate
SMILESC=CC/C(C(=O)O[Si](C)(C)C)=C(/CC)O[Si](C)(C)C
InChIInChI=1S/C14H28O3Si2/c1-9-11-12(14(15)17-19(6,7)8)13(10-2)16-18(3,4)5/h9H,1,10-11H2,2-8H3/b13-12+
InChIKeyANIJSCIMBKHJLX-OUKQBFOZSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 54.46
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'}, {'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 trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate?
The IUPAC name of trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate (CID 5352353) is trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate?
The canonical SMILES for trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate is C=CC/C(C(=O)O[Si](C)(C)C)=C(/CC)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate?
The InChIKey is ANIJSCIMBKHJLX-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H28O3Si2/c1-9-11-12(14(15)17-19(6,7)8)13(10-2)16-18(3,4)5/h9H,1,10-11H2,2-8H3/b13-12+.
What are the key properties of trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate?
trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate has a molecular weight of 300.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-2-prop-2-enyl-3-trimethylsilyloxypent-2-enoate is sourced from PubChem (CID 5352353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).