[hydroxy(propyl)silyl] 2-methylprop-2-enoate

C7H14O3Si — CID 123509892

IUPAC[hydroxy(propyl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](O)CCC
InChIInChI=1S/C7H14O3Si/c1-4-5-11(9)10-7(8)6(2)3/h9,11H,2,4-5H2,1,3H3
InChIKeyPQVAKKAAMINWQF-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.73
Rot. Bonds4

About [hydroxy(propyl)silyl] 2-methylprop-2-enoate

[hydroxy(propyl)silyl] 2-methylprop-2-enoate (PubChem CID 123509892) has the molecular formula C7H14O3Si and a molecular weight of 174.27 g/mol. Its IUPAC name is [hydroxy(propyl)silyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[hydroxy(propyl)silyl] 2-methylprop-2-enoate
PubChem CID123509892
Molecular FormulaC7H14O3Si
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name[hydroxy(propyl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](O)CCC
InChIInChI=1S/C7H14O3Si/c1-4-5-11(9)10-7(8)6(2)3/h9,11H,2,4-5H2,1,3H3
InChIKeyPQVAKKAAMINWQF-UHFFFAOYSA-N
XLogP0.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
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 [hydroxy(propyl)silyl] 2-methylprop-2-enoate?
The IUPAC name of [hydroxy(propyl)silyl] 2-methylprop-2-enoate (CID 123509892) is [hydroxy(propyl)silyl] 2-methylprop-2-enoate.
What is the SMILES notation for [hydroxy(propyl)silyl] 2-methylprop-2-enoate?
The canonical SMILES for [hydroxy(propyl)silyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[SiH](O)CCC.
What is the InChIKey of [hydroxy(propyl)silyl] 2-methylprop-2-enoate?
The InChIKey is PQVAKKAAMINWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3Si/c1-4-5-11(9)10-7(8)6(2)3/h9,11H,2,4-5H2,1,3H3.
What are the key properties of [hydroxy(propyl)silyl] 2-methylprop-2-enoate?
[hydroxy(propyl)silyl] 2-methylprop-2-enoate has a molecular weight of 174.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(propyl)silyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123509892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).