cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium

C21H46N2O6Y — CID 162029253

IUPACcyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium
SMILESC.C.C.C1CCC1.CC(=O)C1C(C(C)=O)C(C(=O)O)C1C(=O)O.CNC.CNC.[Y]
InChIInChI=1S/C10H12O6.C4H8.2C2H7N.3CH4.Y/c1-3(11)5-6(4(2)12)8(10(15)16)7(5)9(13)14;1-2-4-3-1;2*1-3-2;;;;/h5-8H,1-2H3,(H,13,14)(H,15,16);1-4H2;2*3H,1-2H3;3*1H4;
InChIKeyYVUMCHVTTQDDGN-UHFFFAOYSA-N
MW511.51 g/mol
LogP2.95
Rot. Bonds4

About cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium

cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium (PubChem CID 162029253) has the molecular formula C21H46N2O6Y and a molecular weight of 511.51 g/mol. Its IUPAC name is cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium.

Molecular Properties

Compound Namecyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium
PubChem CID162029253
Molecular FormulaC21H46N2O6Y
Molecular Weight511.51 g/mol
Exact Mass511.24
IUPAC Namecyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium
SMILESC.C.C.C1CCC1.CC(=O)C1C(C(C)=O)C(C(=O)O)C1C(=O)O.CNC.CNC.[Y]
InChIInChI=1S/C10H12O6.C4H8.2C2H7N.3CH4.Y/c1-3(11)5-6(4(2)12)8(10(15)16)7(5)9(13)14;1-2-4-3-1;2*1-3-2;;;;/h5-8H,1-2H3,(H,13,14)(H,15,16);1-4H2;2*3H,1-2H3;3*1H4;
InChIKeyYVUMCHVTTQDDGN-UHFFFAOYSA-N
XLogP2.95
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium?
The IUPAC name of cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium (CID 162029253) is cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium.
What is the SMILES notation for cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium?
The canonical SMILES for cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium is C.C.C.C1CCC1.CC(=O)C1C(C(C)=O)C(C(=O)O)C1C(=O)O.CNC.CNC.[Y].
What is the InChIKey of cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium?
The InChIKey is YVUMCHVTTQDDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6.C4H8.2C2H7N.3CH4.Y/c1-3(11)5-6(4(2)12)8(10(15)16)7(5)9(13)14;1-2-4-3-1;2*1-3-2;;;;/h5-8H,1-2H3,(H,13,14)(H,15,16);1-4H2;2*3H,1-2H3;3*1H4;.
What are the key properties of cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium?
cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium has a molecular weight of 511.51 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium is sourced from PubChem (CID 162029253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).