2,6-Diisopropylnaphthalene
PubChem CID: 32241
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| Compound Synonyms | 2,6-DIISOPROPYLNAPHTHALENE, 24157-81-1, Naphthalene, 2,6-bis(1-methylethyl)-, 2,6-di(propan-2-yl)naphthalene, 2,6-DIPN, 2,6-Di-iso-propylnaphthalene, 2,6-Bis(1-methylethyl)naphthalene, Naphthalene, 2,6-diisopropyl-, EINECS 246-045-1, Amplify, UNII-1X71YEU9QB, 1X71YEU9QB, EPA Pesticide Chemical Code 055803, NSC 166467, DTXSID7035272, MFCD00021648, NSC-166467, DTXCID5015272, CHEBI:145669, DIISOPROPYLNAPHTHALENE, 2,6-, 2,6-disopropylnaphtalene, 2,6-Bis(1-methylethyl)-naphthalene, NSC166467, Naphthalene,6-diisopropyl-, 2,6-diisopropyl naphthalene, CHEMBL3182870, Naphthalene,6-bis(1-methylethyl)-, Tox21_301083, AKOS015838375, CS-W014993, FD62592, 2,6-Diisopropylnaphthalene, AldrichCPR, NCGC00163959-01, NCGC00163959-02, NCGC00254984-01, AS-40344, CAS-24157-81-1, D1598, NS00010761, Q424809, 246-045-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CCcccccc6)cccc6)CC)C))))))))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-di(propan-2-yl)naphthalene |
| Class | Naphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.8 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H20 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | GWLLTEXUIOFAFE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,6-Disopropylnaphtalene, 2,6-DIPN, 2,6-Diisopropylnaphthalene, 2,6 diisopropylnaphtalene, 2,6-diisopropylnaphthalene |
| Esol Class | Moderately soluble |
| Compound Name | 2,6-Diisopropylnaphthalene |
| Kingdom | Organic compounds |
| Exact Mass | 212.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 212.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3 |
| Smiles | CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Naphthalenes |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Arbutus Unedo (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644105 - 2. Outgoing r'ship
FOUND_INto/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201 - 3. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226