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16-Hexadecanolide

CAT: 0926-FH153651-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FH153651-02Size:50 g
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CAS Number
109-29-5
MDL Number
MFCD00039668
Smiles
C1CCCCCCCC (=O) OCCCCCCC1
Molecular Formula
C16H30O2
Molecular Weight
254.41 g/mol
Controlled
No

Chemical Information

Hexadecanolide

16-Hexadecanolide is a macrolide.

CAS Number109-29-5
PubChem CID7984
IUPAC Nameoxacycloheptadecan-2-one
Molecular FormulaC16H30O2
Molecular Weight254.41
XLogP6.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity201
SMILES
C1CCCCCCCC(=O)OCCCCCCC1
InChI
InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
InChIKey
LOKPJYNMYCVCRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexadecanolide
CAS: 109-29-5
CID: 7984
Formula: C16H30O2
MW: 254.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.41
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass254.224580195
Monoisotopic Mass254.224580195
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity201
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

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