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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Related Compounds

2-propylphenolate;zirconium(2+);chloride
CID 22137017
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)
CID 157209919
1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 139941681
2-amino-3,6-dipropylphenol
CID 134347282
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene
CID 175071405
5-methyl-2-propylbenzaldehyde
CID 23586663
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
2,6-dichloro-3-propylpyridine
CID 23131294
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
1,3-dichloro-2,4-dipropylbenzene
CID 54410685

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).