Name | 4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydronaphthalene |
Wikidata | Q82006251 |
Mol. formula | C15H24 |
CAS registry number | - |
Mol. weight | 204.3516 |
Temporary LOTUS id | LTS0154650 |
Name | 4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydronaphthalene |
Canonical SMILES | CC1=CC2C(CC1)C(C)=CCC2C(C)C |
2D SMILES | CC1=CC2C(CC1)C(C)=CCC2C(C)C |
IUPAC name | 4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene |
InChI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3 |
InChIKey | QMAYBMKBYCGXDH-UHFFFAOYSA-N |
Deep SMILES | could not be computed |
Murcko Framework | C1=CC2CCC=CC2CC1 |
Pathway | Superclass | Class |
Terpenoids | Sesquiterpenoids | Cadinane sesquiterpenoids |
Total atom number | 39 |
Heavy atom number | 15 |
Bond count | 16 |
Number of carbons | 15 |
Minimal number of rings | 2 |
Maximal number of rings | 3 |
NP-likeness score | 1 |
Alogp | 4.74 |
Alogp2 | 22.52 |
Apol | 42.403 |
Bpol | 26.237 |
EccentricConnectivityIndexDescriptor | 154 |
FmfDescriptor | 0.6667 |
Fsp3 | 0.7333 |
FragmentComplexityDescriptor | 1390 |
PetitjeanNumber | 0.5 |
LipinskiRuleOf5Failures | 1 |
WienerPathNumber | 332 |
Xlogp | 5.897 |
ZagrebIndex | 78 |
TopoPSA | 0 |