4-oxo-11-trimethylsilylundec-9-enoic acid

C14H26O3Si — CID 164681144

IUPAC4-oxo-11-trimethylsilylundec-9-enoic acid
SMILESC[Si](C)(C)CC=CCCCCC(=O)CCC(=O)O
InChIInChI=1S/C14H26O3Si/c1-18(2,3)12-8-6-4-5-7-9-13(15)10-11-14(16)17/h6,8H,4-5,7,9-12H2,1-3H3,(H,16,17)
InChIKeySYAXHLGVZJKGOT-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.88
Rot. Bonds10

About 4-oxo-11-trimethylsilylundec-9-enoic acid

4-oxo-11-trimethylsilylundec-9-enoic acid (PubChem CID 164681144) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-oxo-11-trimethylsilylundec-9-enoic acid.

Molecular Properties

Compound Name4-oxo-11-trimethylsilylundec-9-enoic acid
PubChem CID164681144
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name4-oxo-11-trimethylsilylundec-9-enoic acid
SMILESC[Si](C)(C)CC=CCCCCC(=O)CCC(=O)O
InChIInChI=1S/C14H26O3Si/c1-18(2,3)12-8-6-4-5-7-9-13(15)10-11-14(16)17/h6,8H,4-5,7,9-12H2,1-3H3,(H,16,17)
InChIKeySYAXHLGVZJKGOT-UHFFFAOYSA-N
XLogP3.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-11-trimethylsilylundec-9-enoic acid?
The IUPAC name of 4-oxo-11-trimethylsilylundec-9-enoic acid (CID 164681144) is 4-oxo-11-trimethylsilylundec-9-enoic acid.
What is the SMILES notation for 4-oxo-11-trimethylsilylundec-9-enoic acid?
The canonical SMILES for 4-oxo-11-trimethylsilylundec-9-enoic acid is C[Si](C)(C)CC=CCCCCC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-11-trimethylsilylundec-9-enoic acid?
The InChIKey is SYAXHLGVZJKGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-18(2,3)12-8-6-4-5-7-9-13(15)10-11-14(16)17/h6,8H,4-5,7,9-12H2,1-3H3,(H,16,17).
What are the key properties of 4-oxo-11-trimethylsilylundec-9-enoic acid?
4-oxo-11-trimethylsilylundec-9-enoic acid has a molecular weight of 270.44 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-11-trimethylsilylundec-9-enoic acid is sourced from PubChem (CID 164681144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).