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6-octyloxan-2-one

6-octyloxan-2-one

CAS: 7370-92-5

Formula: C13H24O2

SMILES: CCCCCCCCC1CCCC(=O)O1

IUPAC: 6-octyloxan-2-one

InChI: InChI=1/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3

Composition: C (73.54%), H (11.39%), O (15.07%)

Molar Mass: 212.333

Atom Count: 39

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 212.177630013
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RZZLMGATMUAJPX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.46
Topological Polar Surface Area 26.3
Polarizability 24.71
Ring Count 1
Rotatable Bond Count 7

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