nickel;nonylbenzene

C15H23Ni- — CID 142762749

IUPACnickel;nonylbenzene
SMILESCCCCCCCCCc1cc[c-]cc1.[Ni]
InChIInChI=1S/C15H23.Ni/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;/h10-11,13-14H,2-7,9,12H2,1H3;/q-1;
InChIKeyLVYLJZKIKUDYTQ-UHFFFAOYSA-N
MW262.04 g/mol
LogP4.78
Rot. Bonds8

About nickel;nonylbenzene

nickel;nonylbenzene (PubChem CID 142762749) has the molecular formula C15H23Ni- and a molecular weight of 262.04 g/mol. Its IUPAC name is nickel;nonylbenzene.

Molecular Properties

Compound Namenickel;nonylbenzene
PubChem CID142762749
Molecular FormulaC15H23Ni-
Molecular Weight262.04 g/mol
Exact Mass261.12
IUPAC Namenickel;nonylbenzene
SMILESCCCCCCCCCc1cc[c-]cc1.[Ni]
InChIInChI=1S/C15H23.Ni/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;/h10-11,13-14H,2-7,9,12H2,1H3;/q-1;
InChIKeyLVYLJZKIKUDYTQ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.04
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

zinc hexylbenzene
CID 156642936
lithium dodecylbenzene
CID 134940671
zinc;decylbenzene;chloride
CID 162030336
magnesium;butylbenzene;bromide
CID 54724510
bromozinc(1+);1-heptyl-4-phenylbenzene
CID 146001623
nickel;nonylbenzene;(4-nonylphenyl)phosphonic acid
CID 157108010
1-butyl-4-nonylbenzene
CID 59545302
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of nickel;nonylbenzene?
The IUPAC name of nickel;nonylbenzene (CID 142762749) is nickel;nonylbenzene.
What is the SMILES notation for nickel;nonylbenzene?
The canonical SMILES for nickel;nonylbenzene is CCCCCCCCCc1cc[c-]cc1.[Ni].
What is the InChIKey of nickel;nonylbenzene?
The InChIKey is LVYLJZKIKUDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23.Ni/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;/h10-11,13-14H,2-7,9,12H2,1H3;/q-1;.
What are the key properties of nickel;nonylbenzene?
nickel;nonylbenzene has a molecular weight of 262.04 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;nonylbenzene is sourced from PubChem (CID 142762749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).