trimethylsilyl 2-trimethylsilyloxyhex-2-enoate

C12H26O3Si2 — CID 590024

IUPACtrimethylsilyl 2-trimethylsilyloxyhex-2-enoate
SMILESCCCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-8-9-10-11(14-16(2,3)4)12(13)15-17(5,6)7/h10H,8-9H2,1-7H3
InChIKeyJZFKPTHPKLNAMQ-UHFFFAOYSA-N
MW274.51 g/mol
LogP3.90
Rot. Bonds6

About trimethylsilyl 2-trimethylsilyloxyhex-2-enoate

trimethylsilyl 2-trimethylsilyloxyhex-2-enoate (PubChem CID 590024) has the molecular formula C12H26O3Si2 and a molecular weight of 274.51 g/mol. Its IUPAC name is trimethylsilyl 2-trimethylsilyloxyhex-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl 2-trimethylsilyloxyhex-2-enoate
PubChem CID590024
Molecular FormulaC12H26O3Si2
Molecular Weight274.51 g/mol
Exact Mass274.14
IUPAC Nametrimethylsilyl 2-trimethylsilyloxyhex-2-enoate
SMILESCCCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-8-9-10-11(14-16(2,3)4)12(13)15-17(5,6)7/h10H,8-9H2,1-7H3
InChIKeyJZFKPTHPKLNAMQ-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.51
LogP ≤ 53.90
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-trimethylsilyloxyhex-2-enoate?
The IUPAC name of trimethylsilyl 2-trimethylsilyloxyhex-2-enoate (CID 590024) is trimethylsilyl 2-trimethylsilyloxyhex-2-enoate.
What is the SMILES notation for trimethylsilyl 2-trimethylsilyloxyhex-2-enoate?
The canonical SMILES for trimethylsilyl 2-trimethylsilyloxyhex-2-enoate is CCCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-trimethylsilyloxyhex-2-enoate?
The InChIKey is JZFKPTHPKLNAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si2/c1-8-9-10-11(14-16(2,3)4)12(13)15-17(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of trimethylsilyl 2-trimethylsilyloxyhex-2-enoate?
trimethylsilyl 2-trimethylsilyloxyhex-2-enoate has a molecular weight of 274.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-trimethylsilyloxyhex-2-enoate is sourced from PubChem (CID 590024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).