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IMPPAT Phytochemical information:
2,6-Dimethyl-2-octene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015242
Phytochemical name:
2,6-Dimethyl-2-octene
Synonymous chemical names:
2,6-dimethyl-2-octene
External chemical identifiers:
CID:19974
,
SureChEMBL:SCHEMBL1198833
Chemical structure information
SMILES:
CCC(CCC=C(C)C)C
InChI:
InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3
InChIKey:
WQNLWKDARWVSKE-UHFFFAOYSA-N
DeepSMILES:
CCCCCC=CC)C)))))C
Functional groups:
CC=C(C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
2.124
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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