butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

C16H32N2O2Y-2 — CID 158601152

IUPACbutanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CCC(=O)NN.[Y]
InChIInChI=1S/C12H23O.C4H9N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3-4(7)6-5;/h9H,1,8H2,2-7H3;1-3,5H2,(H,6,7);/q2*-1;
InChIKeyMACZQNYJLLGNKO-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.08
Rot. Bonds4

About butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (PubChem CID 158601152) has the molecular formula C16H32N2O2Y-2 and a molecular weight of 373.35 g/mol. Its IUPAC name is butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.

Molecular Properties

Compound Namebutanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
PubChem CID158601152
Molecular FormulaC16H32N2O2Y-2
Molecular Weight373.35 g/mol
Exact Mass373.15
IUPAC Namebutanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CCC(=O)NN.[Y]
InChIInChI=1S/C12H23O.C4H9N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3-4(7)6-5;/h9H,1,8H2,2-7H3;1-3,5H2,(H,6,7);/q2*-1;
InChIKeyMACZQNYJLLGNKO-UHFFFAOYSA-N
XLogP3.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The IUPAC name of butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (CID 158601152) is butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.
What is the SMILES notation for butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The canonical SMILES for butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is [CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CCC(=O)NN.[Y].
What is the InChIKey of butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The InChIKey is MACZQNYJLLGNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O.C4H9N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3-4(7)6-5;/h9H,1,8H2,2-7H3;1-3,5H2,(H,6,7);/q2*-1;.
What are the key properties of butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium has a molecular weight of 373.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is sourced from PubChem (CID 158601152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).