CCCC1CCC(CC1)C2CCC(CC2)C=O
CAS: 104358-16-9
Name: 4-(4-propylcyclohexyl)cyclohexane-1-carbaldehyde
SMILES: CCCC1CCC(CC1)C2CCC(CC2)C=O

Molecular Processing

Molecular formula
C16H28O
Molecular weight
236.4
Exact mass
236.214
XLogP
4.6
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.938
Molar refractivity
71.87

Supplementary Information

InChIKey: MDRULEIRSQHRHT-UHFFFAOYSA-N
Synonyme
104358-16-94'-trans-Propyl-1,1'-bicyclohexyl-4-trans-carboxaldehydeEC 600-558-0SCHEMBL2270772SCHEMBL2270775SCHEMBL2270780SCHEMBL2885681DTXSID40893650MDRULEIRSQHRHT-BIAGXBKMSA-NMDRULEIRSQHRHT-UHFFFAOYSA-NNS000053624'-Propyl-1,1'-bi(cyclohexyl)-4-carbaldehyde4'-propyl-[1,1'-bi(cyclohexane)]-4-carboaldehydetrans-4-(trans-4-propylcyclohexyl)-cyclohexanecarbaldehydetrans-4-(trans-4-propylcyclohexyl)cyclohexanecarboxaldehyde(1r,1's,4r,4'r)-4'-Propyl[1,1'-bi(cyclohexane)]-4-carbaldehyde
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