CCCCCC12CCC(CC1)(CC2)C(=O)Cl
이름: 4-pentylbicyclo[2.2.2]octane-1-carbonyl chloride
SMILES: CCCCCC12CCC(CC1)(CC2)C(=O)Cl

Molecular Processing

Molecular formula
C14H23ClO
Molecular weight
242.79
Exact mass
242.1437
XLogP
4.67
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
67.57

Supplementary Information

InChIKey: VWHGKCKLLMSLPQ-UHFFFAOYSA-N
동의어
SCHEMBL4324477VWHGKCKLLMSLPQ-UHFFFAOYSA-N4-pentylbicyclo[2.2.2]octane-1-carbonyl chloride
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