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hexadecylbenzene

hexadecylbenzene

CAS: 1459-09-2

Formula: C22H38

SMILES: CCCCCCCCCCCCCCCCC1=CC=CC=C1

IUPAC: hexadecylbenzene

InChI: InChI=1S/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3

Composition: C (87.34%), H (12.66%)

Molar Mass: 302.546

Atom Count: 60

Heavy Atom Count: 22

Properties
Properties
Common Names N-hexadecylbenzene
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.2973512236
Formal Charge 0
FSP3 0.73
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey DEQLTFPCJRGSHW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 100.11
Topological Polar Surface Area 0
Polarizability 39.86
Ring Count 1
Rotatable Bond Count 15

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