propane;propyl 2-methylprop-2-enoate;yttrium

C10H19O2Y- — CID 158346337

IUPACpropane;propyl 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)OCCC.[CH2-]CC.[Y]
InChIInChI=1S/C7H12O2.C3H7.Y/c1-4-5-9-7(8)6(2)3;1-3-2;/h2,4-5H2,1,3H3;1,3H2,2H3;/q;-1;
InChIKeyKCNZCZYJWUBTRU-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.74
Rot. Bonds3

About propane;propyl 2-methylprop-2-enoate;yttrium

propane;propyl 2-methylprop-2-enoate;yttrium (PubChem CID 158346337) has the molecular formula C10H19O2Y- and a molecular weight of 260.17 g/mol. Its IUPAC name is propane;propyl 2-methylprop-2-enoate;yttrium.

Molecular Properties

Compound Namepropane;propyl 2-methylprop-2-enoate;yttrium
PubChem CID158346337
Molecular FormulaC10H19O2Y-
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Namepropane;propyl 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)OCCC.[CH2-]CC.[Y]
InChIInChI=1S/C7H12O2.C3H7.Y/c1-4-5-9-7(8)6(2)3;1-3-2;/h2,4-5H2,1,3H3;1,3H2,2H3;/q;-1;
InChIKeyKCNZCZYJWUBTRU-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
CID 172705109
dimethoxy(methyl)silane;propyl 2-methylprop-2-enoate
CID 159386430
potassium propyl 2-methylprop-2-enoate
CID 140760995
propyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 157240660
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
ethyl(dimethoxy)silane;propyl 2-methylprop-2-enoate
CID 158202415
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
butyl 2-methylprop-2-enoate;ethene
CID 158758814
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190

Frequently Asked Questions

What is the IUPAC name of propane;propyl 2-methylprop-2-enoate;yttrium?
The IUPAC name of propane;propyl 2-methylprop-2-enoate;yttrium (CID 158346337) is propane;propyl 2-methylprop-2-enoate;yttrium.
What is the SMILES notation for propane;propyl 2-methylprop-2-enoate;yttrium?
The canonical SMILES for propane;propyl 2-methylprop-2-enoate;yttrium is C=C(C)C(=O)OCCC.[CH2-]CC.[Y].
What is the InChIKey of propane;propyl 2-methylprop-2-enoate;yttrium?
The InChIKey is KCNZCZYJWUBTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C3H7.Y/c1-4-5-9-7(8)6(2)3;1-3-2;/h2,4-5H2,1,3H3;1,3H2,2H3;/q;-1;.
What are the key properties of propane;propyl 2-methylprop-2-enoate;yttrium?
propane;propyl 2-methylprop-2-enoate;yttrium has a molecular weight of 260.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propyl 2-methylprop-2-enoate;yttrium is sourced from PubChem (CID 158346337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).