CCC12CCC(C1)C=C2C3=CC=CC=C3
Name: 1-ethyl-2-phenylbicyclo[2.2.1]hept-2-ene
SMILES: CCC12CCC(C1)C=C2C3=CC=CC=C3

Molecular Processing

Molecular formula
C15H18
Molecular weight
198.31
Exact mass
198.1409
XLogP
4.28
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
64.48

Supplementary Information

InChIKey: NAPCYSAQOBCATL-UHFFFAOYSA-N
Synonyms
PENBPhenyl ethyl norborneneSCHEMBL444973NAPCYSAQOBCATL-UHFFFAOYSA-N
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Involved in 14 reactions→

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