CCC1=CC(=CC(=C1)CC)CC
CAS: 102-25-0
Nom: 1,3,5-triethylbenzene
SMILES: CCC1=CC(=CC(=C1)CC)CC

Molecular Processing

Molecular formula
C12H18
Molecular weight
162.28
Exact mass
162.1409
XLogP
3.37
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
54.58

Supplementary Information

InChIKey: WJYMPXJVHNDZHD-UHFFFAOYSA-N
Synonymes
1,3,5-TRIETHYLBENZENE102-25-0Benzene, 1,3,5-triethyl-02K328WWZQNSC-406584DTXSID30881228RefChem:72334DTXCID907867203-017-3MFCD00009261UNII-02K328WWZQEINECS 203-017-3NSC4065841,5-TriethylbenzeneNSC 406584AI3-04219Benzene,3,5-triethyl-1,3,5-triethyl-benzene1,3,5-Triethyl benzeneSCHEMBL147391SCHEMBL439074SCHEMBL4256689WJYMPXJVHNDZHD-UHFFFAOYSA-1,3,5-Triethylbenzene, >=97%AAA10225SBB057514AKOS009031476CS-15818SY008991CS-0046776
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→