4-(2-triethylsilyloxyethenyl)hex-4-enoic acid

C14H26O3Si — CID 173004821

IUPAC4-(2-triethylsilyloxyethenyl)hex-4-enoic acid
SMILESCC=C(C=CO[Si](CC)(CC)CC)CCC(=O)O
InChIInChI=1S/C14H26O3Si/c1-5-13(9-10-14(15)16)11-12-17-18(6-2,7-3)8-4/h5,11-12H,6-10H2,1-4H3,(H,15,16)
InChIKeyQOMCAMURKGKZED-UHFFFAOYSA-N
MW270.44 g/mol
LogP4.33
Rot. Bonds9

About 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid

4-(2-triethylsilyloxyethenyl)hex-4-enoic acid (PubChem CID 173004821) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid.

Molecular Properties

Compound Name4-(2-triethylsilyloxyethenyl)hex-4-enoic acid
PubChem CID173004821
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name4-(2-triethylsilyloxyethenyl)hex-4-enoic acid
SMILESCC=C(C=CO[Si](CC)(CC)CC)CCC(=O)O
InChIInChI=1S/C14H26O3Si/c1-5-13(9-10-14(15)16)11-12-17-18(6-2,7-3)8-4/h5,11-12H,6-10H2,1-4H3,(H,15,16)
InChIKeyQOMCAMURKGKZED-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid?
The IUPAC name of 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid (CID 173004821) is 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid.
What is the SMILES notation for 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid?
The canonical SMILES for 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid is CC=C(C=CO[Si](CC)(CC)CC)CCC(=O)O.
What is the InChIKey of 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid?
The InChIKey is QOMCAMURKGKZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-5-13(9-10-14(15)16)11-12-17-18(6-2,7-3)8-4/h5,11-12H,6-10H2,1-4H3,(H,15,16).
What are the key properties of 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid?
4-(2-triethylsilyloxyethenyl)hex-4-enoic acid has a molecular weight of 270.44 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-triethylsilyloxyethenyl)hex-4-enoic acid is sourced from PubChem (CID 173004821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).