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

C15H22NiO2 — CID 160654399

IUPAC4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)
SMILESCCCCc1c(CC)cc([O-])c([O-])c1CCC.[Ni+2]
InChIInChI=1S/C15H24O2.Ni/c1-4-7-9-12-11(6-3)10-14(16)15(17)13(12)8-5-2;/h10,16-17H,4-9H2,1-3H3;/q;+2/p-2
InChIKeyRKVUYJJXDRTLPV-UHFFFAOYSA-L
MW293.03 g/mol
LogP2.69
Rot. Bonds6

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

4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+) (PubChem CID 160654399) has the molecular formula C15H22NiO2 and a molecular weight of 293.03 g/mol. Its IUPAC name is 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+).

Molecular Properties

Compound Name4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)
PubChem CID160654399
Molecular FormulaC15H22NiO2
Molecular Weight293.03 g/mol
Exact Mass292.10
IUPAC Name4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)
SMILESCCCCc1c(CC)cc([O-])c([O-])c1CCC.[Ni+2]
InChIInChI=1S/C15H24O2.Ni/c1-4-7-9-12-11(6-3)10-14(16)15(17)13(12)8-5-2;/h10,16-17H,4-9H2,1-3H3;/q;+2/p-2
InChIKeyRKVUYJJXDRTLPV-UHFFFAOYSA-L
XLogP2.69
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.03
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)
CID 157209919
4-butyl-5-ethyl-2-methyl-3-propylpyridine
CID 144533680
3,5-dimethyl-4-pentylbenzene-1,2-diolate;nickel(2+)
CID 159581098
3-butyl-4,6-dipentylbenzene-1,2-diolate;nickel(2+)
CID 159198003
3,6-diethyl-4-pentylbenzene-1,2-diolate;nickel(2+)
CID 159596904
4-butyl-5-ethyl-3-pentylbenzene-1,2-diol
CID 87875373
4-ethyl-3-methyl-6-pentylbenzene-1,2-diolate;nickel(2+)
CID 162147422
2,3-dibutyl-4,5-diethylphenol
CID 139832191
1,2,3,4-tetrabutylbenzene
CID 11220391
2-butyl-4,5-diethyl-3-methylphenol
CID 139832080
3-butyl-6-ethyl-4-propylbenzene-1,2-diol
CID 87876350
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)?
The IUPAC name of 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+) (CID 160654399) is 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+).
What is the SMILES notation for 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)?
The canonical SMILES for 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+) is CCCCc1c(CC)cc([O-])c([O-])c1CCC.[Ni+2].
What is the InChIKey of 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)?
The InChIKey is RKVUYJJXDRTLPV-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H24O2.Ni/c1-4-7-9-12-11(6-3)10-14(16)15(17)13(12)8-5-2;/h10,16-17H,4-9H2,1-3H3;/q;+2/p-2.
What are the key properties of 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+)?
4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+) has a molecular weight of 293.03 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethyl-3-propylbenzene-1,2-diolate;nickel(2+) is sourced from PubChem (CID 160654399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).