ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten

C15H27NW6 — CID 159620245

IUPACethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten
SMILESC=c1c2c(c(=C)n1C)CCCC2.CC.CC.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C11H15N.2C2H6.6W/c1-8-10-6-4-5-7-11(10)9(2)12(8)3;2*1-2;;;;;;/h1-2,4-7H2,3H3;2*1-2H3;;;;;;
InChIKeyMNUPAXMSAIQKSY-UHFFFAOYSA-N
MW1324.43 g/mol
LogP2.76
Rot. Bonds

About ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten

ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten (PubChem CID 159620245) has the molecular formula C15H27NW6 and a molecular weight of 1324.43 g/mol. Its IUPAC name is ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten.

Molecular Properties

Compound Nameethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten
PubChem CID159620245
Molecular FormulaC15H27NW6
Molecular Weight1324.43 g/mol
Exact Mass1324.92
IUPAC Nameethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten
SMILESC=c1c2c(c(=C)n1C)CCCC2.CC.CC.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C11H15N.2C2H6.6W/c1-8-10-6-4-5-7-11(10)9(2)12(8)3;2*1-2;;;;;;/h1-2,4-7H2,3H3;2*1-2H3;;;;;;
InChIKeyMNUPAXMSAIQKSY-UHFFFAOYSA-N
XLogP2.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001324.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten?
The IUPAC name of ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten (CID 159620245) is ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten.
What is the SMILES notation for ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten?
The canonical SMILES for ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten is C=c1c2c(c(=C)n1C)CCCC2.CC.CC.[W].[W].[W].[W].[W].[W].
What is the InChIKey of ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten?
The InChIKey is MNUPAXMSAIQKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C2H6.6W/c1-8-10-6-4-5-7-11(10)9(2)12(8)3;2*1-2;;;;;;/h1-2,4-7H2,3H3;2*1-2H3;;;;;;.
What are the key properties of ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten?
ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten has a molecular weight of 1324.43 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-dimethylidene-4,5,6,7-tetrahydroisoindole;tungsten is sourced from PubChem (CID 159620245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).