CCCCCCCCC(=O)C
CAS: 693-54-9
Name: decan-2-one
SMILES: CCCCCCCCC(=O)C

Molecular Processing

Molecular formula
C10H20O
Molecular weight
156.27
Exact mass
156.1514
XLogP
3.33
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
48.67

Supplementary Information

InChIKey: ZAJNGDIORYACQU-UHFFFAOYSA-N
Synonyme
2-DecanoneDecan-2-oneDTXSID9022104UNII-GX543OLT0REINECS 211-752-6GX543OLT0RBRN 17474632-DECANONE [FHFI]DTXCID002104FEMA NO. 4271CHEBI:779294-01-00-03367 (Beilstein Handbook Reference)Methyl noctyl ketoneRefChem:86659ZAJNGDIORYACQU-UHFFFAOYSA-N693-54-9METHYL OCTYL KETONEMethyl n-octyl ketoneOctyl methyl ketonen-C8H17COCH3MFCD000095712-Decanone, 98%CHEMBL471272-Decanone, >=98%2-OxodecaneSCHEMBL103053orb3023761SCHEMBL1088139SCHEMBL12413952-Decanone, analytical standard
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