methoxysilyl but-2-enoate

C5H10O3Si — CID 123996531

IUPACmethoxysilyl but-2-enoate
SMILESCC=CC(=O)O[SiH2]OC
InChIInChI=1S/C5H10O3Si/c1-3-4-5(6)8-9-7-2/h3-4H,9H2,1-2H3
InChIKeyYJQOAUNVFSRLBY-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.25
Rot. Bonds3

About methoxysilyl but-2-enoate

methoxysilyl but-2-enoate (PubChem CID 123996531) has the molecular formula C5H10O3Si and a molecular weight of 146.22 g/mol. Its IUPAC name is methoxysilyl but-2-enoate.

Molecular Properties

Compound Namemethoxysilyl but-2-enoate
PubChem CID123996531
Molecular FormulaC5H10O3Si
Molecular Weight146.22 g/mol
Exact Mass146.04
IUPAC Namemethoxysilyl but-2-enoate
SMILESCC=CC(=O)O[SiH2]OC
InChIInChI=1S/C5H10O3Si/c1-3-4-5(6)8-9-7-2/h3-4H,9H2,1-2H3
InChIKeyYJQOAUNVFSRLBY-UHFFFAOYSA-N
XLogP-0.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methoxysilyl but-2-enoate?
The IUPAC name of methoxysilyl but-2-enoate (CID 123996531) is methoxysilyl but-2-enoate.
What is the SMILES notation for methoxysilyl but-2-enoate?
The canonical SMILES for methoxysilyl but-2-enoate is CC=CC(=O)O[SiH2]OC.
What is the InChIKey of methoxysilyl but-2-enoate?
The InChIKey is YJQOAUNVFSRLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3Si/c1-3-4-5(6)8-9-7-2/h3-4H,9H2,1-2H3.
What are the key properties of methoxysilyl but-2-enoate?
methoxysilyl but-2-enoate has a molecular weight of 146.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysilyl but-2-enoate is sourced from PubChem (CID 123996531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).