Название: tert-butyl 6-(5-chloro-2,2-dimethyl-6-methylidenecyclohexyl)-4-oxohexanoate

SMILES: CC1(CCC(C(=C)C1CCC(=O)CCC(=O)OC(C)(C)C)Cl)C

Molecular Processing

Molecular formula

C19H31ClO3

Molecular weight

342.91

Exact mass

342.1962

XLogP

5.06

TPSA

43.37

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

0.789

Molar refractivity

94.61

Supplementary Information

InChIKey: HRBWZTGOZUEUBR-UHFFFAOYSA-N

Синонимы

SCHEMBL8758487HRBWZTGOZUEUBR-UHFFFAOYSA-Ntert.butyl 6-(2-methylidene-6,6-dimethyl-3-chlorocyclohex-1-yl)-4-oxo-hexanoate