methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium

C23H30I3O2V — CID 159033771

IUPACmethane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium
SMILESC.I[V](I)I.c1cc(CCC2CO2)ccc1CCc1ccc(CCC2CO2)cc1
InChIInChI=1S/C22H26O2.CH4.3HI.V/c1(17-3-7-19(8-4-17)11-13-21-15-23-21)2-18-5-9-20(10-6-18)12-14-22-16-24-22;;;;;/h3-10,21-22H,1-2,11-16H2;1H4;3*1H;/q;;;;;+3/p-3
InChIKeyJVEYHCOHGZQETN-UHFFFAOYSA-K
MW770.15 g/mol
LogP7.43
Rot. Bonds9

About methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium

methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium (PubChem CID 159033771) has the molecular formula C23H30I3O2V and a molecular weight of 770.15 g/mol. Its IUPAC name is methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium.

Molecular Properties

Compound Namemethane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium
PubChem CID159033771
Molecular FormulaC23H30I3O2V
Molecular Weight770.15 g/mol
Exact Mass769.88
IUPAC Namemethane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium
SMILESC.I[V](I)I.c1cc(CCC2CO2)ccc1CCc1ccc(CCC2CO2)cc1
InChIInChI=1S/C22H26O2.CH4.3HI.V/c1(17-3-7-19(8-4-17)11-13-21-15-23-21)2-18-5-9-20(10-6-18)12-14-22-16-24-22;;;;;/h3-10,21-22H,1-2,11-16H2;1H4;3*1H;/q;;;;;+3/p-3
InChIKeyJVEYHCOHGZQETN-UHFFFAOYSA-K
XLogP7.43
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.15
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(oxiran-2-yl)ethyl]aniline
CID 112718057
bis[4-[2-(oxiran-2-yl)ethyl]phenyl]methanone
CID 22123760
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
2-[2-(4-propan-2-yloxyphenyl)ethyl]oxirane
CID 83932845
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200
2-[2-(4-pentoxyphenyl)ethyl]oxirane
CID 83932604
2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane
CID 142435994
3-[[4-(2-cyclopropylethyl)phenyl]methyl]-6-[[4-[2-(oxiran-2-yl)ethyl]phenyl]methyl]piperazine-2,5-dione
CID 170070503
2-[2-(3-chlorophenyl)ethyl]oxirane
CID 22123721
2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
CID 57282111
2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane
CID 57324598
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium?
The IUPAC name of methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium (CID 159033771) is methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium.
What is the SMILES notation for methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium?
The canonical SMILES for methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium is C.I[V](I)I.c1cc(CCC2CO2)ccc1CCc1ccc(CCC2CO2)cc1.
What is the InChIKey of methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium?
The InChIKey is JVEYHCOHGZQETN-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H26O2.CH4.3HI.V/c1(17-3-7-19(8-4-17)11-13-21-15-23-21)2-18-5-9-20(10-6-18)12-14-22-16-24-22;;;;;/h3-10,21-22H,1-2,11-16H2;1H4;3*1H;/q;;;;;+3/p-3.
What are the key properties of methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium?
methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium has a molecular weight of 770.15 g/mol, XLogP of 7.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium is sourced from PubChem (CID 159033771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).