bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium

C26H36I7O2V2 — CID 160781891

IUPACbis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium
SMILESCC.CC.CC1(C)C=Cc2ccccc2O1.CC1(C)C=Cc2ccccc2O1.I[V](I)(I)I.I[V](I)I
InChIInChI=1S/2C11H12O.2C2H6.7HI.2V/c2*1-11(2)8-7-9-5-3-4-6-10(9)12-11;2*1-2;;;;;;;;;/h2*3-8H,1-2H3;2*1-2H3;7*1H;;/q;;;;;;;;;;;+3;+4/p-7
InChIKeySARNWKSMWITDTQ-UHFFFAOYSA-G
MW1370.79 g/mol
LogP13.99
Rot. Bonds

About bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium

bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium (PubChem CID 160781891) has the molecular formula C26H36I7O2V2 and a molecular weight of 1370.79 g/mol. Its IUPAC name is bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium.

Molecular Properties

Compound Namebis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium
PubChem CID160781891
Molecular FormulaC26H36I7O2V2
Molecular Weight1370.79 g/mol
Exact Mass1370.49
IUPAC Namebis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium
SMILESCC.CC.CC1(C)C=Cc2ccccc2O1.CC1(C)C=Cc2ccccc2O1.I[V](I)(I)I.I[V](I)I
InChIInChI=1S/2C11H12O.2C2H6.7HI.2V/c2*1-11(2)8-7-9-5-3-4-6-10(9)12-11;2*1-2;;;;;;;;;/h2*3-8H,1-2H3;2*1-2H3;7*1H;;/q;;;;;;;;;;;+3;+4/p-7
InChIKeySARNWKSMWITDTQ-UHFFFAOYSA-G
XLogP13.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001370.79
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylbenzo[g]chromene
CID 1218933
2,2,7-trimethylchromene
CID 12934382
2,2-dimethylpyrano[3,2-c]pyridine
CID 14117126
1,1-dichloro-3,3-dimethyl-2a,8b-dihydrocyclobuta[c]chromen-2-one;2,2-dimethylchromene;2,2,2-trichloroacetyl chloride
CID 167588027
(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
CID 177454161
2,2-dimethyl-6-methylsulfonylchromene
CID 14210386
2-fluoro-N-oxochromene-2-carboxamide
CID 88514835
2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole
CID 54144618
3-(2,2-dimethylchromen-6-yl)propanoic acid
CID 84795340
1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 3007719
(2R)-spiro[1,3-dihydroindole-2,2'-chromene]
CID 102496123
(1R,2S)-1-(2,2-dimethylchromen-6-yl)propane-1,2-diol
CID 146682719

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium?
The IUPAC name of bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium (CID 160781891) is bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium.
What is the SMILES notation for bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium?
The canonical SMILES for bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium is CC.CC.CC1(C)C=Cc2ccccc2O1.CC1(C)C=Cc2ccccc2O1.I[V](I)(I)I.I[V](I)I.
What is the InChIKey of bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium?
The InChIKey is SARNWKSMWITDTQ-UHFFFAOYSA-G. The full InChI is InChI=1S/2C11H12O.2C2H6.7HI.2V/c2*1-11(2)8-7-9-5-3-4-6-10(9)12-11;2*1-2;;;;;;;;;/h2*3-8H,1-2H3;2*1-2H3;7*1H;;/q;;;;;;;;;;;+3;+4/p-7.
What are the key properties of bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium?
bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium has a molecular weight of 1370.79 g/mol, XLogP of 13.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium is sourced from PubChem (CID 160781891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).