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3-Octadecanone

CAT: 0926-FO68105-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FO68105-02Size:500 mg
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CAS Number
18261-92-2
Synonyms
Ethyl pentadecyl ketone
MDL Number
MFCD00026618
Smiles
CCCCCCCCCCCCCCCC (=O) CC
Molecular Formula
C18H36O
Molecular Weight
268.48 g/mol
Controlled
No

Chemical Information

3-Octadecanone

octadecan-3-one has been reported in Cochlospermum tinctorium with data available.

CAS Number18261-92-2
PubChem CID87532
IUPAC Nameoctadecan-3-one
Molecular FormulaC18H36O
Molecular Weight268.5
XLogP7.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity186
SMILES
CCCCCCCCCCCCCCCC(=O)CC
InChI
InChI=1S/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2/h3-17H2,1-2H3
InChIKey
LMCGARAPKXJPNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Octadecanone
CAS: 18261-92-2
CID: 87532
Formula: C18H36O
MW: 268.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.5
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass268.276615768
Monoisotopic Mass268.276615768
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes