ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate

C13H22O2Si — CID 10955631

IUPACethyl (E)-8-trimethylsilyloct-2-en-7-ynoate
SMILESCCOC(=O)/C=C/CCCC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-5-15-13(14)11-9-7-6-8-10-12-16(2,3)4/h9,11H,5-8H2,1-4H3/b11-9+
InChIKeySULRPESTHVRZTQ-PKNBQFBNSA-N
MW238.40 g/mol
LogP3.16
Rot. Bonds5

About ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate

ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate (PubChem CID 10955631) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate.

Molecular Properties

Compound Nameethyl (E)-8-trimethylsilyloct-2-en-7-ynoate
PubChem CID10955631
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Nameethyl (E)-8-trimethylsilyloct-2-en-7-ynoate
SMILESCCOC(=O)/C=C/CCCC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-5-15-13(14)11-9-7-6-8-10-12-16(2,3)4/h9,11H,5-8H2,1-4H3/b11-9+
InChIKeySULRPESTHVRZTQ-PKNBQFBNSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.16
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate?
The IUPAC name of ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate (CID 10955631) is ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate.
What is the SMILES notation for ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate?
The canonical SMILES for ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate is CCOC(=O)/C=C/CCCC#C[Si](C)(C)C.
What is the InChIKey of ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate?
The InChIKey is SULRPESTHVRZTQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-5-15-13(14)11-9-7-6-8-10-12-16(2,3)4/h9,11H,5-8H2,1-4H3/b11-9+.
What are the key properties of ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate?
ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate has a molecular weight of 238.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate is sourced from PubChem (CID 10955631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).