3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)

C12H16NiO2 — CID 157209919

IUPAC3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)
SMILESCCCc1cc([O-])c([O-])c(CC)c1C.[Ni+2]
InChIInChI=1S/C12H18O2.Ni/c1-4-6-9-7-11(13)12(14)10(5-2)8(9)3;/h7,13-14H,4-6H2,1-3H3;/q;+2/p-2
InChIKeyARTUITFPQKCJKZ-UHFFFAOYSA-L
MW250.95 g/mol
LogP1.65
Rot. Bonds3

About 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)

3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+) (PubChem CID 157209919) has the molecular formula C12H16NiO2 and a molecular weight of 250.95 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+).

Molecular Properties

Compound Name3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)
PubChem CID157209919
Molecular FormulaC12H16NiO2
Molecular Weight250.95 g/mol
Exact Mass250.05
IUPAC Name3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)
SMILESCCCc1cc([O-])c([O-])c(CC)c1C.[Ni+2]
InChIInChI=1S/C12H18O2.Ni/c1-4-6-9-7-11(13)12(14)10(5-2)8(9)3;/h7,13-14H,4-6H2,1-3H3;/q;+2/p-2
InChIKeyARTUITFPQKCJKZ-UHFFFAOYSA-L
XLogP1.65
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.95
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)
CID 160654399
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
3,6-dipropylbenzene-1,2-diolate;nickel(2+)
CID 160952514
3,5-dimethyl-4-pentylbenzene-1,2-diolate;nickel(2+)
CID 159581098
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159
3,6-diethyl-4-pentylbenzene-1,2-diolate;nickel(2+)
CID 159596904
4-ethyl-3-methyl-6-pentylbenzene-1,2-diolate;nickel(2+)
CID 162147422
4-ethyl-3-methyl-5-propylphenol
CID 174651080
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
1,2,3,4,5,6-hexamethyl-7-propylnaphthalene
CID 59872941
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
CID 142967725

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)?
The IUPAC name of 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+) (CID 157209919) is 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+).
What is the SMILES notation for 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)?
The canonical SMILES for 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+) is CCCc1cc([O-])c([O-])c(CC)c1C.[Ni+2].
What is the InChIKey of 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)?
The InChIKey is ARTUITFPQKCJKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H18O2.Ni/c1-4-6-9-7-11(13)12(14)10(5-2)8(9)3;/h7,13-14H,4-6H2,1-3H3;/q;+2/p-2.
What are the key properties of 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)?
3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+) has a molecular weight of 250.95 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+) is sourced from PubChem (CID 157209919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).