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Octyl palmitate

CAT: 0926-RAA95885-02Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-RAA95885-02Size:5000 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16958-85-3
Smiles
CCCCCCCCCCCCCCCC (=O) OCCCCCCCC
Molecular Formula
C24H48O2
Molecular Weight
368.6 g/mol
Controlled
No

Chemical Information

Octyl Palmitate

Octyl palmitate is a palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of octan-1-ol. It has a role as a bacterial metabolite. It is a wax ester and a hexadecanoate ester. It is functionally related to an octan-1-ol.

CAS Number16958-85-3
PubChem CID85651
IUPAC Nameoctyl hexadecanoate
Molecular FormulaC24H48O2
Molecular Weight368.6
XLogP10.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Heavy Atom Count26
Formal Charge0
Complexity275
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCC
InChI
InChI=1S/C24H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-10-8-6-4-2/h3-23H2,1-2H3
InChIKey
OQILCOQZDHPEAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octyl Palmitate
CAS: 16958-85-3
CID: 85651
Formula: C24H48O2
MW: 368.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.6
XLogP310.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Exact Mass368.365430770
Monoisotopic Mass368.365430770
Topological Polar Surface Area26.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity275
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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