$CCCCCCCC1(CC[C@H]2[C@H](OC3CCCCO3)CC(=O)[C@@H]2C/C=C\CCCCCC(=O)OC(C)C)OCCO1$

Name: compound ( 5-a )

SMILES: CCCCCCCC1(CC[C@H]2[C@H](OC3CCCCO3)CC(=O)[C@@H]2C/C=C\CCCCCC(=O)OC(C)C)OCCO1

Molecular Processing

Molecular formula

C34H58O7

Molecular weight

578.83

Exact mass

578.4183

XLogP

7.84

TPSA

80.29

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.882

Molar refractivity

160.38

Supplementary Information

Details werden geladen…