Q67880127

[object Object]
Name(2r,3s)-2-ethenyl-2-methyl-3-(3-methylbut-2-en-1-yl)oxirane
WikidataQ67880127
Mol. formulaC10H16O
CAS registry number-
Mol. weight152.2338

Representations

Temporary LOTUS idLTS0227173
Name(2r,3s)-2-ethenyl-2-methyl-3-(3-methylbut-2-en-1-yl)oxirane
Canonical SMILESC=C[C@@]1(C)O[C@H]1CC=C(C)C
2D SMILESC=CC1(C)OC1CC=C(C)C
IUPAC name(2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-en-1-yl)oxirane
InChIInChI=1S/C10H16O/c1-5-10(4)9(11-10)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3/t9-,10+/m0/s1
InChIKeyDUBZPCHJCIFTKB-VHSXEESVSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Artemisia  Artemisia absinthium Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Artemisia  Artemisia arborescens Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsMonoterpenoidsAcyclic monoterpenoids

Molecular Properties

Total atom number27
Heavy atom number11
Bond count11
Number of carbons10
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1
Alogp2.53
Alogp26.43
Apol 29.0707
Bpol 19.4073
EccentricConnectivityIndexDescriptor 117
FmfDescriptor 0.2727
Fsp3 0.6
FragmentComplexityDescriptor 619.01
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber174
Xlogp 2.245
ZagrebIndex 54
TopoPSA 12.53