diiodovanadium;ethane;naphthalene;propane

C21H38I2V — CID 158653279

IUPACdiiodovanadium;ethane;naphthalene;propane
SMILESCC.CCC.CCC.CCC.I[V]I.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.3C3H8.C2H6.2HI.V/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-3-2;1-2;;;/h1-8H;3*3H2,1-2H3;1-2H3;2*1H;/q;;;;;;;+2/p-2
InChIKeyIBUXIDZJUXGCDM-UHFFFAOYSA-L
MW595.29 g/mol
LogP9.88
Rot. Bonds

About diiodovanadium;ethane;naphthalene;propane

diiodovanadium;ethane;naphthalene;propane (PubChem CID 158653279) has the molecular formula C21H38I2V and a molecular weight of 595.29 g/mol. Its IUPAC name is diiodovanadium;ethane;naphthalene;propane.

Molecular Properties

Compound Namediiodovanadium;ethane;naphthalene;propane
PubChem CID158653279
Molecular FormulaC21H38I2V
Molecular Weight595.29 g/mol
Exact Mass595.05
IUPAC Namediiodovanadium;ethane;naphthalene;propane
SMILESCC.CCC.CCC.CCC.I[V]I.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.3C3H8.C2H6.2HI.V/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-3-2;1-2;;;/h1-8H;3*3H2,1-2H3;1-2H3;2*1H;/q;;;;;;;+2/p-2
InChIKeyIBUXIDZJUXGCDM-UHFFFAOYSA-L
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.29
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diiodovanadium;ethane;naphthalene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;naphthalene;propane
CID 158972865
butane;ethane;naphthalene
CID 91347234
butane;ethane;naphthalene
CID 91209744
butane;ethane;naphthalene
CID 54028407
ethane;naphthalene
CID 144512894
bis(dimethyldiazene);ethane;naphthalene;propane
CID 162213111
benzene;methanol;naphthalene;propane
CID 159585555
benzene;tris(cyclohexane);ethane;methane;naphthalene;propane
CID 162093346
ethane;naphthalene;propane;toluene
CID 91119516
ethane;naphthalene;propane;toluene
CID 159937735
anthracene;ethane;naphthalene
CID 159079166
dimethyldiazene;naphthalene;propane
CID 91288749

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;ethane;naphthalene;propane?
The IUPAC name of diiodovanadium;ethane;naphthalene;propane (CID 158653279) is diiodovanadium;ethane;naphthalene;propane.
What is the SMILES notation for diiodovanadium;ethane;naphthalene;propane?
The canonical SMILES for diiodovanadium;ethane;naphthalene;propane is CC.CCC.CCC.CCC.I[V]I.c1ccc2ccccc2c1.
What is the InChIKey of diiodovanadium;ethane;naphthalene;propane?
The InChIKey is IBUXIDZJUXGCDM-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8.3C3H8.C2H6.2HI.V/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-3-2;1-2;;;/h1-8H;3*3H2,1-2H3;1-2H3;2*1H;/q;;;;;;;+2/p-2.
What are the key properties of diiodovanadium;ethane;naphthalene;propane?
diiodovanadium;ethane;naphthalene;propane has a molecular weight of 595.29 g/mol, XLogP of 9.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;ethane;naphthalene;propane is sourced from PubChem (CID 158653279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).