2-trimethylsilyloxypent-2-enoic acid

C8H16O3Si — CID 91563020

IUPAC2-trimethylsilyloxypent-2-enoic acid
SMILESCCC=C(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C8H16O3Si/c1-5-6-7(8(9)10)11-12(2,3)4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyBYMWNOSOAGTTCN-UHFFFAOYSA-N
MW188.30 g/mol
LogP2.22
Rot. Bonds4

About 2-trimethylsilyloxypent-2-enoic acid

2-trimethylsilyloxypent-2-enoic acid (PubChem CID 91563020) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-trimethylsilyloxypent-2-enoic acid.

Molecular Properties

Compound Name2-trimethylsilyloxypent-2-enoic acid
PubChem CID91563020
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name2-trimethylsilyloxypent-2-enoic acid
SMILESCCC=C(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C8H16O3Si/c1-5-6-7(8(9)10)11-12(2,3)4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyBYMWNOSOAGTTCN-UHFFFAOYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 52.22
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxypent-2-enoic acid?
The IUPAC name of 2-trimethylsilyloxypent-2-enoic acid (CID 91563020) is 2-trimethylsilyloxypent-2-enoic acid.
What is the SMILES notation for 2-trimethylsilyloxypent-2-enoic acid?
The canonical SMILES for 2-trimethylsilyloxypent-2-enoic acid is CCC=C(O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-trimethylsilyloxypent-2-enoic acid?
The InChIKey is BYMWNOSOAGTTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-5-6-7(8(9)10)11-12(2,3)4/h6H,5H2,1-4H3,(H,9,10).
What are the key properties of 2-trimethylsilyloxypent-2-enoic acid?
2-trimethylsilyloxypent-2-enoic acid has a molecular weight of 188.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxypent-2-enoic acid is sourced from PubChem (CID 91563020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).