diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile

C14H19I2NV — CID 160582477

IUPACdiiodovanadium;2,6-dimethyl-4-pentylbenzonitrile
SMILESCCCCCc1cc(C)c(C#N)c(C)c1.I[V]I
InChIInChI=1S/C14H19N.2HI.V/c1-4-5-6-7-13-8-11(2)14(10-15)12(3)9-13;;;/h8-9H,4-7H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyRBYQVQIUHJJYMS-UHFFFAOYSA-L
MW506.07 g/mol
LogP5.68
Rot. Bonds4

About diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile

diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile (PubChem CID 160582477) has the molecular formula C14H19I2NV and a molecular weight of 506.07 g/mol. Its IUPAC name is diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile.

Molecular Properties

Compound Namediiodovanadium;2,6-dimethyl-4-pentylbenzonitrile
PubChem CID160582477
Molecular FormulaC14H19I2NV
Molecular Weight506.07 g/mol
Exact Mass505.90
IUPAC Namediiodovanadium;2,6-dimethyl-4-pentylbenzonitrile
SMILESCCCCCc1cc(C)c(C#N)c(C)c1.I[V]I
InChIInChI=1S/C14H19N.2HI.V/c1-4-5-6-7-13-8-11(2)14(10-15)12(3)9-13;;;/h8-9H,4-7H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyRBYQVQIUHJJYMS-UHFFFAOYSA-L
XLogP5.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.07
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-docosyl-4,6-dimethylbenzonitrile
CID 170695843
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
2,6-dimethyl-4-pentylphenol
CID 22625507
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
5,7,12,14-tetrakis[2-(4-hexyl-2,6-dimethylphenyl)ethynyl]pentacene
CID 140759353
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1,2-dimethyl-4-octylbenzene
CID 14044616
5-butyl-3-methylpyridine-2-carbonitrile
CID 157135861
(3,5-dihexylphenyl)methanamine
CID 174558763
2-bromo-5-butyl-1,3-dimethylbenzene
CID 67873453

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile?
The IUPAC name of diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile (CID 160582477) is diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile.
What is the SMILES notation for diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile?
The canonical SMILES for diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile is CCCCCc1cc(C)c(C#N)c(C)c1.I[V]I.
What is the InChIKey of diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile?
The InChIKey is RBYQVQIUHJJYMS-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H19N.2HI.V/c1-4-5-6-7-13-8-11(2)14(10-15)12(3)9-13;;;/h8-9H,4-7H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile?
diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile has a molecular weight of 506.07 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile is sourced from PubChem (CID 160582477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).