5-Oxohexadecanoic acid

CAT: 0127-OR1063441-03Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063441-03Size:250 mg

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CAS Number

70444-63-2

Purity

98%

Smiles

CCCCCCCCCCCC(CCCC(O)=O)=O

Chemical Information

5-Oxohexadecanoic acid

5-keto palmitic acid is a long-chain fatty acid.

CAS Number	70444-63-2
PubChem CID	5282999
IUPAC Name	5-oxohexadecanoic acid
Molecular Formula	C16H30O3
Molecular Weight	270.41
XLogP	4.1
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Heavy Atom Count	19
Formal Charge	0
Complexity	236

SMILES

CCCCCCCCCCCC(=O)CCCC(=O)O

InChI

InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h2-14H2,1H3,(H,18,19)

InChIKey

YPCLNPGINNEYIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70444-63-2

CID: 5282999

Formula: C16H30O3

MW: 270.41

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.41
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	270.21949481
Monoisotopic Mass	270.21949481
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-O050308-01	10-Oxohexadecanoic Acid
HY-W046056	16- (Benzyloxy) -16-oxohexadecanoic acid
GTR19276145-01	16-Methoxy-16-oxohexadecanoic acid
843666-27-3	16- (Tert-butoxy) -16-oxohexadecanoic acid
sc-262724A	5,5,5-Trifluorovaleric acid
ZAA49980-01	5,5-Dimethylhexanoic acid
FT62679-01	5,5'-Thiodisalicylic Acid
CCA14621-01	5,5-Dimethylheptanoic acid
904001	5,5‐DIBROMOBARBITURIC ACID
HY-121595	5,5-Diphenylbarbituric acid