3,6-dipropylbenzene-1,2-diolate;nickel(2+)

C12H16NiO2 — CID 160952514

IUPAC3,6-dipropylbenzene-1,2-diolate;nickel(2+)
SMILESCCCc1ccc(CCC)c([O-])c1[O-].[Ni+2]
InChIInChI=1S/C12H18O2.Ni/c1-3-5-9-7-8-10(6-4-2)12(14)11(9)13;/h7-8,13-14H,3-6H2,1-2H3;/q;+2/p-2
InChIKeySVYIKAVKUDZFHE-UHFFFAOYSA-L
MW250.95 g/mol
LogP1.74
Rot. Bonds4

About 3,6-dipropylbenzene-1,2-diolate;nickel(2+)

3,6-dipropylbenzene-1,2-diolate;nickel(2+) (PubChem CID 160952514) has the molecular formula C12H16NiO2 and a molecular weight of 250.95 g/mol. Its IUPAC name is 3,6-dipropylbenzene-1,2-diolate;nickel(2+).

Molecular Properties

Compound Name3,6-dipropylbenzene-1,2-diolate;nickel(2+)
PubChem CID160952514
Molecular FormulaC12H16NiO2
Molecular Weight250.95 g/mol
Exact Mass250.05
IUPAC Name3,6-dipropylbenzene-1,2-diolate;nickel(2+)
SMILESCCCc1ccc(CCC)c([O-])c1[O-].[Ni+2]
InChIInChI=1S/C12H18O2.Ni/c1-3-5-9-7-8-10(6-4-2)12(14)11(9)13;/h7-8,13-14H,3-6H2,1-2H3;/q;+2/p-2
InChIKeySVYIKAVKUDZFHE-UHFFFAOYSA-L
XLogP1.74
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.95
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dipropylbenzene-1,2-diolate;nickel(2+)?
The IUPAC name of 3,6-dipropylbenzene-1,2-diolate;nickel(2+) (CID 160952514) is 3,6-dipropylbenzene-1,2-diolate;nickel(2+).
What is the SMILES notation for 3,6-dipropylbenzene-1,2-diolate;nickel(2+)?
The canonical SMILES for 3,6-dipropylbenzene-1,2-diolate;nickel(2+) is CCCc1ccc(CCC)c([O-])c1[O-].[Ni+2].
What is the InChIKey of 3,6-dipropylbenzene-1,2-diolate;nickel(2+)?
The InChIKey is SVYIKAVKUDZFHE-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H18O2.Ni/c1-3-5-9-7-8-10(6-4-2)12(14)11(9)13;/h7-8,13-14H,3-6H2,1-2H3;/q;+2/p-2.
What are the key properties of 3,6-dipropylbenzene-1,2-diolate;nickel(2+)?
3,6-dipropylbenzene-1,2-diolate;nickel(2+) has a molecular weight of 250.95 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipropylbenzene-1,2-diolate;nickel(2+) is sourced from PubChem (CID 160952514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).