Q105306436

[object Object]
Name2,2-dimethyldodecan-1-ol
WikidataQ105306436
Mol. formulaC14H30O
CAS registry number-
Mol. weight214.3879

Representations

Temporary LOTUS idLTS0131108
Name2,2-dimethyldodecan-1-ol
Canonical SMILESCCCCCCCCCCC(C)(C)CO
2D SMILESCCCCCCCCCCC(C)(C)CO
IUPAC name2,2-dimethyldodecan-1-ol
InChIInChI=1S/C14H30O/c1-4-5-6-7-8-9-10-11-12-14(2,3)13-15/h15H,4-13H2,1-3H3
InChIKeyWIPSWZOXXLCTPP-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Burseraceae  Commiphora  Commiphora rostrata Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty acylsFatty alcohols

Molecular Properties

Total atom number45
Heavy atom number15
Bond count14
Number of carbons14
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1
Alogp5.21
Alogp227.18
Apol 45.4458
Bpol 32.7962
EccentricConnectivityIndexDescriptor 258
FmfDescriptor 0
Fsp3 1
FragmentComplexityDescriptor 1726.01
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber508
Xlogp 6.095
ZagrebIndex 60
TopoPSA 20.23