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2-Tetradecylcyclobutanone

CAT: 0024-sc-472682Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-472682Size:10 mg
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CAS Number
35493-47-1

Chemical Information

2-Tetradecylcyclobutanone

2-Tetradecylcyclobutanone is a cyclic ketone.

CAS Number35493-47-1
PubChem CID566940
IUPAC Name2-tetradecylcyclobutan-1-one
Molecular FormulaC18H34O
Molecular Weight266.5
XLogP7.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity222
SMILES
CCCCCCCCCCCCCCC1CCC1=O
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3
InChIKey
HTZLOIBLMXPDGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Tetradecylcyclobutanone
CAS: 35493-47-1
CID: 566940
Formula: C18H34O
MW: 266.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.5
XLogP37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass266.260965704
Monoisotopic Mass266.260965704
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes