butyl prop-2-enoate;yttrium

C7H11O2Y- — CID 58594393

IUPACbutyl prop-2-enoate;yttrium
SMILESC=CC(=O)OC[CH-]CC.[Y]
InChIInChI=1S/C7H11O2.Y/c1-3-5-6-9-7(8)4-2;/h4-5H,2-3,6H2,1H3;/q-1;
InChIKeyFMYLJZGAKKVFQG-UHFFFAOYSA-N
MW216.07 g/mol
LogP1.33
Rot. Bonds4

About butyl prop-2-enoate;yttrium

butyl prop-2-enoate;yttrium (PubChem CID 58594393) has the molecular formula C7H11O2Y- and a molecular weight of 216.07 g/mol. Its IUPAC name is butyl prop-2-enoate;yttrium.

Molecular Properties

Compound Namebutyl prop-2-enoate;yttrium
PubChem CID58594393
Molecular FormulaC7H11O2Y-
Molecular Weight216.07 g/mol
Exact Mass215.98
IUPAC Namebutyl prop-2-enoate;yttrium
SMILESC=CC(=O)OC[CH-]CC.[Y]
InChIInChI=1S/C7H11O2.Y/c1-3-5-6-9-7(8)4-2;/h4-5H,2-3,6H2,1H3;/q-1;
InChIKeyFMYLJZGAKKVFQG-UHFFFAOYSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze butyl prop-2-enoate;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethene;ethyl prop-2-enoate;urea
CID 22098038
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;yttrium?
The IUPAC name of butyl prop-2-enoate;yttrium (CID 58594393) is butyl prop-2-enoate;yttrium.
What is the SMILES notation for butyl prop-2-enoate;yttrium?
The canonical SMILES for butyl prop-2-enoate;yttrium is C=CC(=O)OC[CH-]CC.[Y].
What is the InChIKey of butyl prop-2-enoate;yttrium?
The InChIKey is FMYLJZGAKKVFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2.Y/c1-3-5-6-9-7(8)4-2;/h4-5H,2-3,6H2,1H3;/q-1;.
What are the key properties of butyl prop-2-enoate;yttrium?
butyl prop-2-enoate;yttrium has a molecular weight of 216.07 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;yttrium is sourced from PubChem (CID 58594393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).