(2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate

C10H18N2O4 — CID 54432180

IUPAC(2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)ON=NOC(=O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-6-10(4,5)9(14)16-12-11-15-8(13)7(2)3/h7H,6H2,1-5H3
InChIKeyWIFSWVWMZZKEOG-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.45
Rot. Bonds5

About (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate

(2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate (PubChem CID 54432180) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate
PubChem CID54432180
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)ON=NOC(=O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-6-10(4,5)9(14)16-12-11-15-8(13)7(2)3/h7H,6H2,1-5H3
InChIKeyWIFSWVWMZZKEOG-UHFFFAOYSA-N
XLogP2.45
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
2-methylpropoxymethyl 2,2-dimethylbutanoate
CID 59445769
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
iodomethyl 2,2-dimethylbutanoate
CID 14459667
ethyl 2,2-dimethylbutanoate
CID 20744002
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 129085463
2,2-dimethylbutaneperoxoate
CID 171460044
methane;methyl 2,2-dimethylbutanoate
CID 161256043
2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
fluoroethane;fluoromethyl 2,2-dimethylbutanoate
CID 91194207

Frequently Asked Questions

What is the IUPAC name of (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate?
The IUPAC name of (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate (CID 54432180) is (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate?
The canonical SMILES for (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)ON=NOC(=O)C(C)C.
What is the InChIKey of (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate?
The InChIKey is WIFSWVWMZZKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-10(4,5)9(14)16-12-11-15-8(13)7(2)3/h7H,6H2,1-5H3.
What are the key properties of (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate?
(2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate has a molecular weight of 230.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropanoyloxydiazenyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 54432180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).