3-trimethylsilyloxypent-4-enoic acid

C8H16O3Si — CID 174226187

IUPAC3-trimethylsilyloxypent-4-enoic acid
SMILESC=CC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-5-7(6-8(9)10)11-12(2,3)4/h5,7H,1,6H2,2-4H3,(H,9,10)
InChIKeyKBXLGHFLINNQJX-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.87
Rot. Bonds5

About 3-trimethylsilyloxypent-4-enoic acid

3-trimethylsilyloxypent-4-enoic acid (PubChem CID 174226187) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-trimethylsilyloxypent-4-enoic acid.

Molecular Properties

Compound Name3-trimethylsilyloxypent-4-enoic acid
PubChem CID174226187
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name3-trimethylsilyloxypent-4-enoic acid
SMILESC=CC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-5-7(6-8(9)10)11-12(2,3)4/h5,7H,1,6H2,2-4H3,(H,9,10)
InChIKeyKBXLGHFLINNQJX-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-trimethylsilyloxypent-4-enoic acid?
The IUPAC name of 3-trimethylsilyloxypent-4-enoic acid (CID 174226187) is 3-trimethylsilyloxypent-4-enoic acid.
What is the SMILES notation for 3-trimethylsilyloxypent-4-enoic acid?
The canonical SMILES for 3-trimethylsilyloxypent-4-enoic acid is C=CC(CC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloxypent-4-enoic acid?
The InChIKey is KBXLGHFLINNQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-5-7(6-8(9)10)11-12(2,3)4/h5,7H,1,6H2,2-4H3,(H,9,10).
What are the key properties of 3-trimethylsilyloxypent-4-enoic acid?
3-trimethylsilyloxypent-4-enoic acid has a molecular weight of 188.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxypent-4-enoic acid is sourced from PubChem (CID 174226187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).