5-trimethylsilylpent-3-enoic acid

C8H16O2Si — CID 57302771

IUPAC5-trimethylsilylpent-3-enoic acid
SMILESC[Si](C)(C)CC=CCC(=O)O
InChIInChI=1S/C8H16O2Si/c1-11(2,3)7-5-4-6-8(9)10/h4-5H,6-7H2,1-3H3,(H,9,10)
InChIKeyKZQDGNAYYDVWPH-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.36
Rot. Bonds4

About 5-trimethylsilylpent-3-enoic acid

5-trimethylsilylpent-3-enoic acid (PubChem CID 57302771) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 5-trimethylsilylpent-3-enoic acid.

Molecular Properties

Compound Name5-trimethylsilylpent-3-enoic acid
PubChem CID57302771
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name5-trimethylsilylpent-3-enoic acid
SMILESC[Si](C)(C)CC=CCC(=O)O
InChIInChI=1S/C8H16O2Si/c1-11(2,3)7-5-4-6-8(9)10/h4-5H,6-7H2,1-3H3,(H,9,10)
InChIKeyKZQDGNAYYDVWPH-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-trimethylsilylpent-3-enoic acid?
The IUPAC name of 5-trimethylsilylpent-3-enoic acid (CID 57302771) is 5-trimethylsilylpent-3-enoic acid.
What is the SMILES notation for 5-trimethylsilylpent-3-enoic acid?
The canonical SMILES for 5-trimethylsilylpent-3-enoic acid is C[Si](C)(C)CC=CCC(=O)O.
What is the InChIKey of 5-trimethylsilylpent-3-enoic acid?
The InChIKey is KZQDGNAYYDVWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-11(2,3)7-5-4-6-8(9)10/h4-5H,6-7H2,1-3H3,(H,9,10).
What are the key properties of 5-trimethylsilylpent-3-enoic acid?
5-trimethylsilylpent-3-enoic acid has a molecular weight of 172.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilylpent-3-enoic acid is sourced from PubChem (CID 57302771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).