CCCCC[C@H](O)CCCC(CCCCCCC(=O)OCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Name: Di-tert.-butyl 2-[4-(S)-hydroxynonyl]-2-(6-ethoxycarbonylhexyl)malonate
SMILES: CCCCC[C@H](O)CCCC(CCCCCCC(=O)OCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C29H54O7
Molecular weight
514.74
Exact mass
514.387
XLogP
6.67
TPSA
99.13
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
18
Heavy atoms
36
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.897
Molar refractivity
142.46

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→