Название: [1-(4-chloro-5-hydroxypentan-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl] acetate

SMILES: CC(CC(CO)Cl)C1=CCC2C1(CCCC2OC(=O)C)C

Molecular Processing

Molecular formula

C17H27ClO3

Molecular weight

314.85

Exact mass

314.1649

XLogP

3.68

TPSA

46.53

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

0.824

Molar refractivity

84.21

Supplementary Information

InChIKey: PRLAQQDHNCZPPJ-UHFFFAOYSA-N

Синонимы

PRLAQQDHNCZPPJ-UHFFFAOYSA-N7-(acetyloxy)-beta-chloro-3a,4,5,6,7,7a-hexahydro-delta,3a-dimethyl-1H-indene-3-butanol