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(9E)-octadec-9-en-1-yl acetate

(9E)-octadec-9-en-1-yl acetate

CAS: 693-80-1

Formula: C20H38O2

SMILES: CCCCCCCCC=CCCCCCCCCOC(C)=O

IUPAC: (9E)-octadec-9-en-1-yl acetate

InChI: InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10+

Composition: C (77.36%), H (12.34%), O (10.30%)

Molar Mass: 310.522

Atom Count: 60

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 310.287180464
Formal Charge 0
FSP3 0.85
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GYGAZRPDUOHMAF-ZHACJKMWSA-N
Lipinski's Rule of Five
Molar Refractivity 96.82
Topological Polar Surface Area 26.3
Polarizability 38.12
Ring Count 0
Rotatable Bond Count 17

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