diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole

C17H30I2N2OV — CID 159298437

IUPACdiiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole
SMILESCC.CCc1ccccc1.CN.Cc1nc(C)c(C)o1.I[V]I
InChIInChI=1S/C8H10.C6H9NO.C2H6.CH5N.2HI.V/c1-2-8-6-4-3-5-7-8;1-4-5(2)8-6(3)7-4;2*1-2;;;/h3-7H,2H2,1H3;1-3H3;1-2H3;2H2,1H3;2*1H;/q;;;;;;+2/p-2
InChIKeyLBAHIAHXJNSEQJ-UHFFFAOYSA-L
MW583.19 g/mol
LogP6.22
Rot. Bonds1

About diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole

diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole (PubChem CID 159298437) has the molecular formula C17H30I2N2OV and a molecular weight of 583.19 g/mol. Its IUPAC name is diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

Compound Namediiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole
PubChem CID159298437
Molecular FormulaC17H30I2N2OV
Molecular Weight583.19 g/mol
Exact Mass582.99
IUPAC Namediiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole
SMILESCC.CCc1ccccc1.CN.Cc1nc(C)c(C)o1.I[V]I
InChIInChI=1S/C8H10.C6H9NO.C2H6.CH5N.2HI.V/c1-2-8-6-4-3-5-7-8;1-4-5(2)8-6(3)7-4;2*1-2;;;/h3-7H,2H2,1H3;1-3H3;1-2H3;2H2,1H3;2*1H;/q;;;;;;+2/p-2
InChIKeyLBAHIAHXJNSEQJ-UHFFFAOYSA-L
XLogP6.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.19
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethylbenzene
CID 90887003
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
ethane;ethylbenzene;toluene
CID 159408087
ethane;ethylbenzene;methanol
CID 90833594
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
ethane;ethylbenzene;methoxymethane
CID 91307642
ethylbenzene;propane;hydroiodide
CID 142182216
ethylbenzene;2-methylpropan-2-amine
CID 142271167
[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746651

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole?
The IUPAC name of diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole (CID 159298437) is diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole.
What is the SMILES notation for diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole?
The canonical SMILES for diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole is CC.CCc1ccccc1.CN.Cc1nc(C)c(C)o1.I[V]I.
What is the InChIKey of diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole?
The InChIKey is LBAHIAHXJNSEQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10.C6H9NO.C2H6.CH5N.2HI.V/c1-2-8-6-4-3-5-7-8;1-4-5(2)8-6(3)7-4;2*1-2;;;/h3-7H,2H2,1H3;1-3H3;1-2H3;2H2,1H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole?
diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole has a molecular weight of 583.19 g/mol, XLogP of 6.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 159298437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).