CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OCOC)C
이름: 9a-butyl-7-(methoxymethoxy)-4-methyl-2,9-dihydro-1H-fluoren-3-one
SMILES: CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OCOC)C

Molecular Processing

Molecular formula
C20H26O3
Molecular weight
314.43
Exact mass
314.1882
XLogP
4.54
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
91.44

Supplementary Information

InChIKey: XRZFPFOMTBNOKG-UHFFFAOYSA-N
동의어
SCHEMBL2422236XRZFPFOMTBNOKG-UHFFFAOYSA-N9a-butyl-7-methoxymethoxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
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