Q105327400

[object Object]
NameHeptadeca-1,8,11-triene
WikidataQ105327400
Mol. formulaC17H30
CAS registry number-
Mol. weight234.4207

Representations

Temporary LOTUS idLTS0033136
NameHeptadeca-1,8,11-triene
Canonical SMILESC=CCCCCCC=CCC=CCCCCC
2D SMILESC=CCCCCCC=CCC=CCCCCC
IUPAC nameheptadeca-1,8,11-triene
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,12,14-15,17H,1,4-11,13,16H2,2H3
InChIKeyXFZBIINLEPBMDY-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Cirsium  Cirsium japonicum Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Cirsium  Cirsium helenioides Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Centaurea  Centaurea scabiosa Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty acylsHydrocarbons

Molecular Properties

Total atom number47
Heavy atom number17
Bond count16
Number of carbons17
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1
Alogp6.85
Alogp246.88
Apol 49.9238
Bpol 32.7962
EccentricConnectivityIndexDescriptor 384
FmfDescriptor 0
Fsp3 0.6471
FragmentComplexityDescriptor 1844
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 2
WienerPathNumber816
Xlogp 8.804
ZagrebIndex 62
TopoPSA 0