Q104967628

[object Object]
Name(1s,2r,5s,6s,9s)-2,6,10,10-tetramethyltricyclo[7.2.0.0²,⁵]undecan-6-ol
WikidataQ104967628
Mol. formulaC15H26O
CAS registry number-
Mol. weight222.3669

Representations

Temporary LOTUS idLTS0258905
Name(1s,2r,5s,6s,9s)-2,6,10,10-tetramethyltricyclo[7.2.0.0²,⁵]undecan-6-ol
Canonical SMILESCC1(C)C[C@H]2[C@@H]1CC[C@](C)(O)[C@H]1CC[C@]21C
2D SMILESCC1(C)CC2C1CCC(C)(O)C1CCC21C
IUPAC name(1S,2R,5S,6S,9S)-2,6,10,10-tetramethyltricyclo[7.2.0.0²,⁵]undecan-6-ol
InChIInChI=1S/C15H26O/c1-13(2)9-11-10(13)5-8-15(4,16)12-6-7-14(11,12)3/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15-/m0/s1
InChIKeyCPLGPDHGFNXBOA-JVSQWTDWSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1CC2CCC2C3CCC3C1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Pinaceae  Pinus  Pinus pumila Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Pinaceae  Pinus  Pinus koraiensis Wikidata logo
Ref:
Wikidata logo

KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Fungi  Ascomycota  Nectriaceae  Fusarium  Fusarium fujikuroi 
Ref:

Chemical ontology


PathwaySuperclassClass
Terpenoids|TerpenoidsSesquiterpenoids|SesquiterpenoidsCycloeudesmane sesquiterpenoids|Caryophyllane sesquiterpenoids

Molecular Properties

Total atom number42
Heavy atom number16
Bond count18
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.41
Alogp3.16
Alogp29.97
Apol 44.5386
Bpol 28.4234
EccentricConnectivityIndexDescriptor 172
FmfDescriptor 0.6875
Fsp3 1
FragmentComplexityDescriptor 1696.01
PetitjeanNumber 0.3333
LipinskiRuleOf5Failures 1
WienerPathNumber365
Xlogp 5.176
ZagrebIndex 100
TopoPSA 20.23