trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate

C12H26O3Si2 — CID 5372901

IUPACtrimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate
SMILESCC(C)/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-10(2)9-11(14-16(3,4)5)12(13)15-17(6,7)8/h9-10H,1-8H3/b11-9-
InChIKeyFTLCXFGROBVHFT-LUAWRHEFSA-N
MW274.51 g/mol
LogP3.76
Rot. Bonds5

About trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate

trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate (PubChem CID 5372901) has the molecular formula C12H26O3Si2 and a molecular weight of 274.51 g/mol. Its IUPAC name is trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate
PubChem CID5372901
Molecular FormulaC12H26O3Si2
Molecular Weight274.51 g/mol
Exact Mass274.14
IUPAC Nametrimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate
SMILESCC(C)/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si2/c1-10(2)9-11(14-16(3,4)5)12(13)15-17(6,7)8/h9-10H,1-8H3/b11-9-
InChIKeyFTLCXFGROBVHFT-LUAWRHEFSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.51
LogP ≤ 53.76
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 (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate?
The IUPAC name of trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate (CID 5372901) is trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate.
What is the SMILES notation for trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate?
The canonical SMILES for trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate is CC(C)/C=C(\O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate?
The InChIKey is FTLCXFGROBVHFT-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H26O3Si2/c1-10(2)9-11(14-16(3,4)5)12(13)15-17(6,7)8/h9-10H,1-8H3/b11-9-.
What are the key properties of trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate?
trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate has a molecular weight of 274.51 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 trimethylsilyl (Z)-4-methyl-2-trimethylsilyloxypent-2-enoate is sourced from PubChem (CID 5372901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).