1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate

C10H18N2O4 — CID 22363633

IUPAC1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate
SMILESCC(=O)OC(C)C/N=N/CC(C)OC(C)=O
InChIInChI=1S/C10H18N2O4/c1-7(15-9(3)13)5-11-12-6-8(2)16-10(4)14/h7-8H,5-6H2,1-4H3/b12-11+
InChIKeyAERSJGAHVMZSFP-VAWYXSNFSA-N
MW230.26 g/mol
LogP1.34
Rot. Bonds6

About 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate

1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate (PubChem CID 22363633) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate
PubChem CID22363633
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate
SMILESCC(=O)OC(C)C/N=N/CC(C)OC(C)=O
InChIInChI=1S/C10H18N2O4/c1-7(15-9(3)13)5-11-12-6-8(2)16-10(4)14/h7-8H,5-6H2,1-4H3/b12-11+
InChIKeyAERSJGAHVMZSFP-VAWYXSNFSA-N
XLogP1.34
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.34
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

[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
4-hydroxypentan-2-yl acetate;methane
CID 161366769
[5-methyl-4-[(methylideneamino)methyl]hexan-2-yl] acetate
CID 175412444
2-acetyloxypropyl(203Hg)mercury-203
CID 23724955
[(2S)-1-bromopropan-2-yl] acetate
CID 13129281
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
4-acetyloxy-2-methylpentanoic acid
CID 172684875
1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 87296802
1-(2-acetyloxypropylselanyl)propan-2-yl acetate
CID 132988773
2-acetyloxypropyl(197Hg)mercury-197;hydrate
CID 23724952
1-(iodomethoxy)propan-2-yl acetate
CID 138608644
4,6-dihydroxyheptan-2-yl acetate
CID 118653103

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate?
The IUPAC name of 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate (CID 22363633) is 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate.
What is the SMILES notation for 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate?
The canonical SMILES for 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate is CC(=O)OC(C)C/N=N/CC(C)OC(C)=O.
What is the InChIKey of 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate?
The InChIKey is AERSJGAHVMZSFP-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(15-9(3)13)5-11-12-6-8(2)16-10(4)14/h7-8H,5-6H2,1-4H3/b12-11+.
What are the key properties of 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate?
1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate has a molecular weight of 230.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate is sourced from PubChem (CID 22363633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).