Q105249149

[object Object]
Name(5z)-5-[(4e)-5-(methylsulfanyl)hex-4-en-2-yn-1-ylidene]furan-2-one
WikidataQ105249149
Mol. formulaC11H10O2S
CAS registry number-
Mol. weight206.2624

Representations

Temporary LOTUS idLTS0231889
Name(5z)-5-[(4e)-5-(methylsulfanyl)hex-4-en-2-yn-1-ylidene]furan-2-one
Canonical SMILESCS/C(C)=C/C#C/C=C1/C=CC(=O)O1
2D SMILESCSC(C)=CC#CC=C1C=CC(=O)O1
IUPAC name(5Z)-5-[(4E)-5-(methylsulfanyl)hex-4-en-2-yn-1-ylidene]-2,5-dihydrofuran-2-one
InChIInChI=1S/C11H10O2S/c1-9(14-2)5-3-4-6-10-7-8-11(12)13-10/h5-8H,1-2H3/b9-5+,10-6-
InChIKeySAUCIODDYUECKP-POQLCMLLSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CC=CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Cota  Cota triumfetti Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty acylsFatty alcohols

Molecular Properties

Total atom number24
Heavy atom number14
Bond count14
Number of carbons11
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1.01
Alogp2.14
Alogp24.59
Apol 30.5319
Bpol 16.0861
EccentricConnectivityIndexDescriptor 217
FmfDescriptor 0.3571
Fsp3 0.1818
FragmentComplexityDescriptor 394.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber378
Xlogp 2.286
ZagrebIndex 62
TopoPSA 51.6