silyl but-2-enoate

C4H8O2Si — CID 123641326

IUPACsilyl but-2-enoate
SMILESCC=CC(=O)O[SiH3]
InChIInChI=1S/C4H8O2Si/c1-2-3-4(5)6-7/h2-3H,1,7H3
InChIKeyPXQVXFBEYAYXHI-UHFFFAOYSA-N
MW116.19 g/mol
LogP-0.61
Rot. Bonds1

About silyl but-2-enoate

silyl but-2-enoate (PubChem CID 123641326) has the molecular formula C4H8O2Si and a molecular weight of 116.19 g/mol. Its IUPAC name is silyl but-2-enoate.

Molecular Properties

Compound Namesilyl but-2-enoate
PubChem CID123641326
Molecular FormulaC4H8O2Si
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Namesilyl but-2-enoate
SMILESCC=CC(=O)O[SiH3]
InChIInChI=1S/C4H8O2Si/c1-2-3-4(5)6-7/h2-3H,1,7H3
InChIKeyPXQVXFBEYAYXHI-UHFFFAOYSA-N
XLogP-0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 silyl but-2-enoate?
The IUPAC name of silyl but-2-enoate (CID 123641326) is silyl but-2-enoate.
What is the SMILES notation for silyl but-2-enoate?
The canonical SMILES for silyl but-2-enoate is CC=CC(=O)O[SiH3].
What is the InChIKey of silyl but-2-enoate?
The InChIKey is PXQVXFBEYAYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2Si/c1-2-3-4(5)6-7/h2-3H,1,7H3.
What are the key properties of silyl but-2-enoate?
silyl but-2-enoate has a molecular weight of 116.19 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl but-2-enoate is sourced from PubChem (CID 123641326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).