名称: 6-ethynyl-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILES:
CC1(CCC(=O)C2=C1C=C(C=C2)C#C)CMolecular Processing
Molecular formula
C14H14O
Molecular weight
198.26
Exact mass
198.1045
XLogP
2.92
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
60.97
Supplementary Information
InChIKey: HEUBMCOZJZSHGR-UHFFFAOYSA-N
同義語
SCHEMBL5736412HEUBMCOZJZSHGR-UHFFFAOYSA-N6-ethynyl-3,4-dihydro-4,4-dimethyl-naphthalen-1(2H)-one6-Ethynyl-3,4-dihydro-4,4-dimethylnaphthalen-1(2H) -one6-ethynyl-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one6-ethynyl-3,4-dihydro-4,4-dimethyl- naphthalen-1(2H)-one6-ethynyl-3,4-dihydro-4,4-dimethyl-naphthalen-1 (2H)-one6-ethynyl-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1-one6-Ethynyl-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-l-one6-ethynyl-4,4-dimethyl- 1,2,3,4-tetrahydronaphthalene- 1-one
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