methyl 2-trimethylsilylocta-2,3-dienoate

C12H22O2Si — CID 102203798

IUPACmethyl 2-trimethylsilylocta-2,3-dienoate
SMILESCCCCC=C=C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-6-7-8-9-10-11(12(13)14-2)15(3,4)5/h9H,6-8H2,1-5H3
InChIKeyOGBUEHGZIOWDSQ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-trimethylsilylocta-2,3-dienoate

methyl 2-trimethylsilylocta-2,3-dienoate (PubChem CID 102203798) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is methyl 2-trimethylsilylocta-2,3-dienoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilylocta-2,3-dienoate
PubChem CID102203798
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namemethyl 2-trimethylsilylocta-2,3-dienoate
SMILESCCCCC=C=C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-6-7-8-9-10-11(12(13)14-2)15(3,4)5/h9H,6-8H2,1-5H3
InChIKeyOGBUEHGZIOWDSQ-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 methyl 2-trimethylsilylocta-2,3-dienoate?
The IUPAC name of methyl 2-trimethylsilylocta-2,3-dienoate (CID 102203798) is methyl 2-trimethylsilylocta-2,3-dienoate.
What is the SMILES notation for methyl 2-trimethylsilylocta-2,3-dienoate?
The canonical SMILES for methyl 2-trimethylsilylocta-2,3-dienoate is CCCCC=C=C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2-trimethylsilylocta-2,3-dienoate?
The InChIKey is OGBUEHGZIOWDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-7-8-9-10-11(12(13)14-2)15(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of methyl 2-trimethylsilylocta-2,3-dienoate?
methyl 2-trimethylsilylocta-2,3-dienoate has a molecular weight of 226.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilylocta-2,3-dienoate is sourced from PubChem (CID 102203798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).