(E)-8-trimethylsilyloct-5-en-7-ynoic acid

C11H18O2Si — CID 154718524

IUPAC(E)-8-trimethylsilyloct-5-en-7-ynoic acid
SMILESC[Si](C)(C)C#C/C=C/CCCC(=O)O
InChIInChI=1S/C11H18O2Si/c1-14(2,3)10-8-6-4-5-7-9-11(12)13/h4,6H,5,7,9H2,1-3H3,(H,12,13)/b6-4+
InChIKeyCKMUQKBSWYRFNZ-GQCTYLIASA-N
MW210.35 g/mol
LogP2.68
Rot. Bonds4

About (E)-8-trimethylsilyloct-5-en-7-ynoic acid

(E)-8-trimethylsilyloct-5-en-7-ynoic acid (PubChem CID 154718524) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is (E)-8-trimethylsilyloct-5-en-7-ynoic acid.

Molecular Properties

Compound Name(E)-8-trimethylsilyloct-5-en-7-ynoic acid
PubChem CID154718524
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Name(E)-8-trimethylsilyloct-5-en-7-ynoic acid
SMILESC[Si](C)(C)C#C/C=C/CCCC(=O)O
InChIInChI=1S/C11H18O2Si/c1-14(2,3)10-8-6-4-5-7-9-11(12)13/h4,6H,5,7,9H2,1-3H3,(H,12,13)/b6-4+
InChIKeyCKMUQKBSWYRFNZ-GQCTYLIASA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Decenoic acid, (5E)-
CID 5362593
5-Decenoic acid
CID 53400879
(7E,11E)-tetradeca-7,11-dien-5,9-diynoic acid
CID 10822604
5-Decenoic acid, (5Z)-
CID 15101542
5E,8E-decadienoic acid
CID 5312364
5,8,11-Tetradecatrienoic acid
CID 85973586
4-Hexenoic acid, 4-methyl-6-(fluorodimethylsilyl)-6-trimethylsilyl-
CID 5366889
Non-5-enoic acid
CID 12115588
CID 53431349
CID 53431349
(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
CID 14190140
(Z)-dec-5-en-8-ynoic acid
CID 54762922
Undeca-5,8-dienoic acid
CID 90819284

Frequently Asked Questions

What is the IUPAC name of (E)-8-trimethylsilyloct-5-en-7-ynoic acid?
The IUPAC name of (E)-8-trimethylsilyloct-5-en-7-ynoic acid (CID 154718524) is (E)-8-trimethylsilyloct-5-en-7-ynoic acid.
What is the SMILES notation for (E)-8-trimethylsilyloct-5-en-7-ynoic acid?
The canonical SMILES for (E)-8-trimethylsilyloct-5-en-7-ynoic acid is C[Si](C)(C)C#C/C=C/CCCC(=O)O.
What is the InChIKey of (E)-8-trimethylsilyloct-5-en-7-ynoic acid?
The InChIKey is CKMUQKBSWYRFNZ-GQCTYLIASA-N. The full InChI is InChI=1S/C11H18O2Si/c1-14(2,3)10-8-6-4-5-7-9-11(12)13/h4,6H,5,7,9H2,1-3H3,(H,12,13)/b6-4+.
What are the key properties of (E)-8-trimethylsilyloct-5-en-7-ynoic acid?
(E)-8-trimethylsilyloct-5-en-7-ynoic acid has a molecular weight of 210.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-trimethylsilyloct-5-en-7-ynoic acid is sourced from PubChem (CID 154718524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).