methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate

C11H20O3Si — CID 135079957

IUPACmethyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate
SMILESC=CC/C=C(\CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-6-7-8-10(9-11(12)13-2)14-15(3,4)5/h6,8H,1,7,9H2,2-5H3/b10-8+
InChIKeyYNDDSDQAZRTNQV-CSKARUKUSA-N
MW228.36 g/mol
LogP2.86
Rot. Bonds6

About methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate

methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate (PubChem CID 135079957) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate.

Molecular Properties

Compound Namemethyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate
PubChem CID135079957
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate
SMILESC=CC/C=C(\CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-6-7-8-10(9-11(12)13-2)14-15(3,4)5/h6,8H,1,7,9H2,2-5H3/b10-8+
InChIKeyYNDDSDQAZRTNQV-CSKARUKUSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.86
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate?
The IUPAC name of methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate (CID 135079957) is methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate.
What is the SMILES notation for methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate?
The canonical SMILES for methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate is C=CC/C=C(\CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate?
The InChIKey is YNDDSDQAZRTNQV-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-6-7-8-10(9-11(12)13-2)14-15(3,4)5/h6,8H,1,7,9H2,2-5H3/b10-8+.
What are the key properties of methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate?
methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate has a molecular weight of 228.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate is sourced from PubChem (CID 135079957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).