7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid

C14H26O5Si — CID 72683382

IUPAC7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid
SMILESC[Si](C)(C)CCOC(=O)CC(O)CC=CCCC(=O)O
InChIInChI=1S/C14H26O5Si/c1-20(2,3)10-9-19-14(18)11-12(15)7-5-4-6-8-13(16)17/h4-5,12,15H,6-11H2,1-3H3,(H,16,17)
InChIKeyWVKLEOFNUDCJOF-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.43
Rot. Bonds10

About 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid

7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid (PubChem CID 72683382) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid.

Molecular Properties

Compound Name7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid
PubChem CID72683382
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid
SMILESC[Si](C)(C)CCOC(=O)CC(O)CC=CCCC(=O)O
InChIInChI=1S/C14H26O5Si/c1-20(2,3)10-9-19-14(18)11-12(15)7-5-4-6-8-13(16)17/h4-5,12,15H,6-11H2,1-3H3,(H,16,17)
InChIKeyWVKLEOFNUDCJOF-UHFFFAOYSA-N
XLogP2.43
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid?
The IUPAC name of 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid (CID 72683382) is 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid.
What is the SMILES notation for 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid?
The canonical SMILES for 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid is C[Si](C)(C)CCOC(=O)CC(O)CC=CCCC(=O)O.
What is the InChIKey of 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid?
The InChIKey is WVKLEOFNUDCJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-20(2,3)10-9-19-14(18)11-12(15)7-5-4-6-8-13(16)17/h4-5,12,15H,6-11H2,1-3H3,(H,16,17).
What are the key properties of 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid?
7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid has a molecular weight of 302.44 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid is sourced from PubChem (CID 72683382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).