2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate

C12H22N2O4 — CID 54481908

IUPAC2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
SMILESCC(C)COC(=O)C/N=N/CC(=O)OCC(C)C
InChIInChI=1S/C12H22N2O4/c1-9(2)7-17-11(15)5-13-14-6-12(16)18-8-10(3)4/h9-10H,5-8H2,1-4H3/b14-13+
InChIKeyXPOUVCLREQMPBX-BUHFOSPRSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds8

About 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate

2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate (PubChem CID 54481908) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
PubChem CID54481908
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
SMILESCC(C)COC(=O)C/N=N/CC(=O)OCC(C)C
InChIInChI=1S/C12H22N2O4/c1-9(2)7-17-11(15)5-13-14-6-12(16)18-8-10(3)4/h9-10H,5-8H2,1-4H3/b14-13+
InChIKeyXPOUVCLREQMPBX-BUHFOSPRSA-N
XLogP1.84
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
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'}

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Related Compounds

2-methylpropyl N-(diaminomethylidene)carbamate
CID 87606933
bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
2-methylpropyl 3-fluoropropanoate
CID 140916120
methane;2-methylpropyl 2-(methylamino)acetate
CID 162173386
2-methylpropyl 2-ethoxyacetate
CID 45108349
bis(2-methylpropyl) 2-sulfanylbutanedioate
CID 3017591
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
2-methylpropyl acetate;hydrate
CID 86585368
CID 136863386
CID 136863386
4-O-(2-ethylbutyl) 1-O-(2-methylpropyl) butanedioate
CID 91701587
1-O-[2-[2-[3-(2-methylpropoxy)-3-oxopropanoyl]oxyethoxy]ethyl] 3-O-(2-methylpropyl) propanedioate
CID 118298690
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate?
The IUPAC name of 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate (CID 54481908) is 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate?
The canonical SMILES for 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate is CC(C)COC(=O)C/N=N/CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate?
The InChIKey is XPOUVCLREQMPBX-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)7-17-11(15)5-13-14-6-12(16)18-8-10(3)4/h9-10H,5-8H2,1-4H3/b14-13+.
What are the key properties of 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate?
2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate has a molecular weight of 258.32 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate is sourced from PubChem (CID 54481908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).