2,2,4,4-tetramethyl-6-oxoheptanehydrazide

C11H22N2O2 — CID 176980940

IUPAC2,2,4,4-tetramethyl-6-oxoheptanehydrazide
SMILESCC(=O)CC(C)(C)CC(C)(C)C(=O)NN
InChIInChI=1S/C11H22N2O2/c1-8(14)6-10(2,3)7-11(4,5)9(15)13-12/h6-7,12H2,1-5H3,(H,13,15)
InChIKeyQGUMGJOUFJFOFP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.40
Rot. Bonds5

About 2,2,4,4-tetramethyl-6-oxoheptanehydrazide

2,2,4,4-tetramethyl-6-oxoheptanehydrazide (PubChem CID 176980940) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-6-oxoheptanehydrazide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-6-oxoheptanehydrazide
PubChem CID176980940
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,2,4,4-tetramethyl-6-oxoheptanehydrazide
SMILESCC(=O)CC(C)(C)CC(C)(C)C(=O)NN
InChIInChI=1S/C11H22N2O2/c1-8(14)6-10(2,3)7-11(4,5)9(15)13-12/h6-7,12H2,1-5H3,(H,13,15)
InChIKeyQGUMGJOUFJFOFP-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2,2,4,4-tetramethyl-6-oxoheptanehydrazide?
The IUPAC name of 2,2,4,4-tetramethyl-6-oxoheptanehydrazide (CID 176980940) is 2,2,4,4-tetramethyl-6-oxoheptanehydrazide.
What is the SMILES notation for 2,2,4,4-tetramethyl-6-oxoheptanehydrazide?
The canonical SMILES for 2,2,4,4-tetramethyl-6-oxoheptanehydrazide is CC(=O)CC(C)(C)CC(C)(C)C(=O)NN.
What is the InChIKey of 2,2,4,4-tetramethyl-6-oxoheptanehydrazide?
The InChIKey is QGUMGJOUFJFOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(14)6-10(2,3)7-11(4,5)9(15)13-12/h6-7,12H2,1-5H3,(H,13,15).
What are the key properties of 2,2,4,4-tetramethyl-6-oxoheptanehydrazide?
2,2,4,4-tetramethyl-6-oxoheptanehydrazide has a molecular weight of 214.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-6-oxoheptanehydrazide is sourced from PubChem (CID 176980940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).