What is the molecular formula of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?
The molecular formula is C13H19N.
When was 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile created in PubChem?
It was created on August 9, 2005.
What is the IUPAC name of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?
The IUPAC name is 4,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile.
What is the InChIKey of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?
The InChIKey is YEVCTGOJOVCQBE-UHFFFAOYSA-N.
What is the molecular weight of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?
The molecular weight is 189.30 g/mol.
What is the Canonical SMILES of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?
The Canonical SMILES is CC1CCC2=C(C1)CC(CC2C)C#N.
What is the XLogP3-AA value of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?
The XLogP3-AA value is 2.5.
How many hydrogen bond acceptors does 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile have?
It has 1 hydrogen bond acceptor.
What is the topological polar surface area of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?
The topological polar surface area is 23.8 Ų.
Is 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile a canonicalized compound in PubChem?
Yes, it is a canonicalized compound in PubChem.