3-propanoyloxypentane-2-diazonium

C8H15N2O2+ — CID 175484929

IUPAC3-propanoyloxypentane-2-diazonium
SMILESCCC(=O)OC(CC)C(C)[N+]#N
InChIInChI=1S/C8H15N2O2/c1-4-7(6(3)10-9)12-8(11)5-2/h6-7H,4-5H2,1-3H3/q+1
InChIKeyWXUNPGCGFKCZAC-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.96
Rot. Bonds4

About 3-propanoyloxypentane-2-diazonium

3-propanoyloxypentane-2-diazonium (PubChem CID 175484929) has the molecular formula C8H15N2O2+ and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-propanoyloxypentane-2-diazonium.

Molecular Properties

Compound Name3-propanoyloxypentane-2-diazonium
PubChem CID175484929
Molecular FormulaC8H15N2O2+
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name3-propanoyloxypentane-2-diazonium
SMILESCCC(=O)OC(CC)C(C)[N+]#N
InChIInChI=1S/C8H15N2O2/c1-4-7(6(3)10-9)12-8(11)5-2/h6-7H,4-5H2,1-3H3/q+1
InChIKeyWXUNPGCGFKCZAC-UHFFFAOYSA-N
XLogP1.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

[(3S,4R)-4-methyl-5-oxoheptan-3-yl] propanoate
CID 11084857
3-propanoyloxybutan-2-yl propanoate
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[(2S)-1,3-dihydroxybutan-2-yl] propanoate
CID 89114249
[(3S,4R,5S,6R,7R)-5,7-dihydroxy-4,6,8,8-tetramethylnonan-3-yl] propanoate
CID 101070471
propan-2-one;propan-2-yl propanoate
CID 161266557
butan-2-yl propanoate;sulfur dioxide
CID 159892772
[(2R)-1,1,1-trichloropropan-2-yl] propanoate
CID 6933249
CID 123811776
CID 123811776
2,4-dimethylpentan-3-yl propanoate;methane
CID 167541618
1-acetyloxypropyl propanoate
CID 141272286
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
(4,4-dimethoxy-1-propanoyloxybutyl) propanoate
CID 121011755

Frequently Asked Questions

What is the IUPAC name of 3-propanoyloxypentane-2-diazonium?
The IUPAC name of 3-propanoyloxypentane-2-diazonium (CID 175484929) is 3-propanoyloxypentane-2-diazonium.
What is the SMILES notation for 3-propanoyloxypentane-2-diazonium?
The canonical SMILES for 3-propanoyloxypentane-2-diazonium is CCC(=O)OC(CC)C(C)[N+]#N.
What is the InChIKey of 3-propanoyloxypentane-2-diazonium?
The InChIKey is WXUNPGCGFKCZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O2/c1-4-7(6(3)10-9)12-8(11)5-2/h6-7H,4-5H2,1-3H3/q+1.
What are the key properties of 3-propanoyloxypentane-2-diazonium?
3-propanoyloxypentane-2-diazonium has a molecular weight of 171.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyloxypentane-2-diazonium is sourced from PubChem (CID 175484929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).