ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate

C14H24O2Si — CID 139252746

IUPACethyl 4-methylidene-8-trimethylsilyloct-7-ynoate
SMILESC=C(CCC#C[Si](C)(C)C)CCC(=O)OCC
InChIInChI=1S/C14H24O2Si/c1-6-16-14(15)11-10-13(2)9-7-8-12-17(3,4)5/h2,6-7,9-11H2,1,3-5H3
InChIKeySHGIOEBHHKROLP-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.55
Rot. Bonds6

About ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate

ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate (PubChem CID 139252746) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate.

Molecular Properties

Compound Nameethyl 4-methylidene-8-trimethylsilyloct-7-ynoate
PubChem CID139252746
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Nameethyl 4-methylidene-8-trimethylsilyloct-7-ynoate
SMILESC=C(CCC#C[Si](C)(C)C)CCC(=O)OCC
InChIInChI=1S/C14H24O2Si/c1-6-16-14(15)11-10-13(2)9-7-8-12-17(3,4)5/h2,6-7,9-11H2,1,3-5H3
InChIKeySHGIOEBHHKROLP-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate?
The IUPAC name of ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate (CID 139252746) is ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate.
What is the SMILES notation for ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate?
The canonical SMILES for ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate is C=C(CCC#C[Si](C)(C)C)CCC(=O)OCC.
What is the InChIKey of ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate?
The InChIKey is SHGIOEBHHKROLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-6-16-14(15)11-10-13(2)9-7-8-12-17(3,4)5/h2,6-7,9-11H2,1,3-5H3.
What are the key properties of ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate?
ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate has a molecular weight of 252.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylidene-8-trimethylsilyloct-7-ynoate is sourced from PubChem (CID 139252746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).