3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide

C12H20N2O3 — CID 66227790

IUPAC3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide
SMILESCC(C)(C)CCOCc1ccoc1C(=O)NN
InChIInChI=1S/C12H20N2O3/c1-12(2,3)5-7-16-8-9-4-6-17-10(9)11(15)14-13/h4,6H,5,7-8,13H2,1-3H3,(H,14,15)
InChIKeyASTSZGGJNXIQRW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.84
Rot. Bonds5

About 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide

3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide (PubChem CID 66227790) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide
PubChem CID66227790
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide
SMILESCC(C)(C)CCOCc1ccoc1C(=O)NN
InChIInChI=1S/C12H20N2O3/c1-12(2,3)5-7-16-8-9-4-6-17-10(9)11(15)14-13/h4,6H,5,7-8,13H2,1-3H3,(H,14,15)
InChIKeyASTSZGGJNXIQRW-UHFFFAOYSA-N
XLogP1.84
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide?
The IUPAC name of 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide (CID 66227790) is 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide is CC(C)(C)CCOCc1ccoc1C(=O)NN.
What is the InChIKey of 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide?
The InChIKey is ASTSZGGJNXIQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,3)5-7-16-8-9-4-6-17-10(9)11(15)14-13/h4,6H,5,7-8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide?
3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide has a molecular weight of 240.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 66227790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).