Q27144612

[object Object]
Name(3e,7e)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
WikidataQ27144612
Mol. formulaC16H26
CAS registry number-
Mol. weight218.3782

Representations

Temporary LOTUS idLTS0194471
Name(3e,7e)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
Canonical SMILESC=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
2D SMILESC=CC=C(C)CCC=C(C)CCC=C(C)C
IUPAC name(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
InChIInChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+
InChIKeyCWLVBFJCJXHUCF-RNPYNJAESA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Brassicaceae  Hesperis  Hesperis matronalis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty acylsHydrocarbons

Molecular Properties

Total atom number42
Heavy atom number16
Bond count15
Number of carbons16
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1
Alogp5.92
Alogp235.01
Apol 45.4966
Bpol 28.4234
EccentricConnectivityIndexDescriptor 273
FmfDescriptor 0
Fsp3 0.5
FragmentComplexityDescriptor 1441
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber586
Xlogp 6.186
ZagrebIndex 64
TopoPSA 0