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IMPPAT Phytochemical information:
6-Methyl-cyclodec-5-enol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016472
Phytochemical name:
6-Methyl-cyclodec-5-enol
Synonymous chemical names:
6-methyl-cyclodec-5-enol
External chemical identifiers:
CID:5370331
Chemical structure information
SMILES:
OC1CCCC/C(=CCCC1)/C
InChI:
InChI=1S/C11H20O/c1-10-6-2-4-8-11(12)9-5-3-7-10/h6,11-12H,2-5,7-9H2,1H3/b10-6-
InChIKey:
TXYWOYSJYBLUEY-POHAHGRESA-N
DeepSMILES:
OCCCCC/C=CCCC%10))))/C
Functional groups:
C/C=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCCCCCCCC1
Scaffold Graph/Node level:
C1CCCCCCCCC1
Scaffold Graph level:
C1CCCCCCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Alcohols and polyols
NP-Likeness score:
1.579
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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