silyl 2-hydroxyprop-2-enoate

C3H6O3Si — CID 174411527

IUPACsilyl 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)O[SiH3]
InChIInChI=1S/C3H6O3Si/c1-2(4)3(5)6-7/h4H,1H2,7H3
InChIKeyIABBJEUVDNKXAG-UHFFFAOYSA-N
MW118.16 g/mol
LogP-1.12
Rot. Bonds1

About silyl 2-hydroxyprop-2-enoate

silyl 2-hydroxyprop-2-enoate (PubChem CID 174411527) has the molecular formula C3H6O3Si and a molecular weight of 118.16 g/mol. Its IUPAC name is silyl 2-hydroxyprop-2-enoate.

Molecular Properties

Compound Namesilyl 2-hydroxyprop-2-enoate
PubChem CID174411527
Molecular FormulaC3H6O3Si
Molecular Weight118.16 g/mol
Exact Mass118.01
IUPAC Namesilyl 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)O[SiH3]
InChIInChI=1S/C3H6O3Si/c1-2(4)3(5)6-7/h4H,1H2,7H3
InChIKeyIABBJEUVDNKXAG-UHFFFAOYSA-N
XLogP-1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 silyl 2-hydroxyprop-2-enoate?
The IUPAC name of silyl 2-hydroxyprop-2-enoate (CID 174411527) is silyl 2-hydroxyprop-2-enoate.
What is the SMILES notation for silyl 2-hydroxyprop-2-enoate?
The canonical SMILES for silyl 2-hydroxyprop-2-enoate is C=C(O)C(=O)O[SiH3].
What is the InChIKey of silyl 2-hydroxyprop-2-enoate?
The InChIKey is IABBJEUVDNKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3Si/c1-2(4)3(5)6-7/h4H,1H2,7H3.
What are the key properties of silyl 2-hydroxyprop-2-enoate?
silyl 2-hydroxyprop-2-enoate has a molecular weight of 118.16 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-hydroxyprop-2-enoate is sourced from PubChem (CID 174411527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).