Q82224500

[object Object]
Name9-decynoic acid
WikidataQ82224500
Mol. formulaC10H16O2
CAS registry number-
Mol. weight168.2332

Representations

Temporary LOTUS idLTS0128650
Name9-decynoic acid
Canonical SMILESC#CCCCCCCCC(=O)O
2D SMILESC#CCCCCCCCC(=O)O
IUPAC namedec-9-ynoic acid
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,3-9H2,(H,11,12)
InChIKeyKHOZXYSECXUORA-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Malvaceae  Hibiscus  Hibiscus rosa-sinensis Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Malvaceae  Hibiscus  Hibiscus rosa-sinensis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty acylsFatty alcohols

Molecular Properties

Total atom number28
Heavy atom number12
Bond count11
Number of carbons10
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1.5
Alogp3.82
Alogp214.55
Apol 29.8727
Bpol 18.4493
EccentricConnectivityIndexDescriptor 169
FmfDescriptor 0
Fsp3 0.7
FragmentComplexityDescriptor 597.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber277
Xlogp 3.021
ZagrebIndex 44
TopoPSA 37.3