Q105121425

[object Object]
Name5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
WikidataQ105121425
Mol. formulaC20H34
CAS registry number-
Mol. weight274.4847

Representations

Temporary LOTUS idLTS0223228
Name5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
Canonical SMILESCC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3
2D SMILESCC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3
IUPAC name5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
InChIInChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3
InChIKeyIVZWRQBQDVHDNG-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1CCC2C(C1)CCC34CCC(CCC23)C4

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Aristolochiaceae  Aristolochia  Aristolochia triangularis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Terpenoids|TerpenoidsDiterpenoids|DiterpenoidsBeyerane diterpenoids|Kaurane and Phyllocladane diterpenoids

Molecular Properties

Total atom number54
Heavy atom number20
Bond count23
Number of carbons20
Minimal number of rings4
Maximal number of rings10

Molecular Descriptors

NP-likeness score 1
Alogp5.83
Alogp233.97
Apol 57.871
Bpol 37.169
EccentricConnectivityIndexDescriptor 278
FmfDescriptor 0.8
Fsp3 1
FragmentComplexityDescriptor 2869
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber660
Xlogp 10.044
ZagrebIndex 124
TopoPSA 0