3,3,6,6-tetramethyloctanedihydrazide

C12H26N4O2 — CID 123887942

IUPAC3,3,6,6-tetramethyloctanedihydrazide
SMILESCC(C)(CCC(C)(C)CC(=O)NN)CC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-11(2,7-9(17)15-13)5-6-12(3,4)8-10(18)16-14/h5-8,13-14H2,1-4H3,(H,15,17)(H,16,18)
InChIKeySVBXVNJGXVBOAY-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.58
Rot. Bonds7

About 3,3,6,6-tetramethyloctanedihydrazide

3,3,6,6-tetramethyloctanedihydrazide (PubChem CID 123887942) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3,3,6,6-tetramethyloctanedihydrazide.

Molecular Properties

Compound Name3,3,6,6-tetramethyloctanedihydrazide
PubChem CID123887942
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name3,3,6,6-tetramethyloctanedihydrazide
SMILESCC(C)(CCC(C)(C)CC(=O)NN)CC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-11(2,7-9(17)15-13)5-6-12(3,4)8-10(18)16-14/h5-8,13-14H2,1-4H3,(H,15,17)(H,16,18)
InChIKeySVBXVNJGXVBOAY-UHFFFAOYSA-N
XLogP0.58
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3,3,6,6-tetramethyloctanedihydrazide?
The IUPAC name of 3,3,6,6-tetramethyloctanedihydrazide (CID 123887942) is 3,3,6,6-tetramethyloctanedihydrazide.
What is the SMILES notation for 3,3,6,6-tetramethyloctanedihydrazide?
The canonical SMILES for 3,3,6,6-tetramethyloctanedihydrazide is CC(C)(CCC(C)(C)CC(=O)NN)CC(=O)NN.
What is the InChIKey of 3,3,6,6-tetramethyloctanedihydrazide?
The InChIKey is SVBXVNJGXVBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-11(2,7-9(17)15-13)5-6-12(3,4)8-10(18)16-14/h5-8,13-14H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 3,3,6,6-tetramethyloctanedihydrazide?
3,3,6,6-tetramethyloctanedihydrazide has a molecular weight of 258.37 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyloctanedihydrazide is sourced from PubChem (CID 123887942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).