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15-hydroxy Pentadecanoic Acid methyl ester

CAT: 0013-GTR19232270-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232270-02Size:10 mg
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Description
This methyl ester of a hydroxylated fatty acid is a key synthetic intermediate for macrocyclic musk lactones like exaltolide. It is used in fragrance research and as a biochemical precursor in studies of lipid metabolism and lactone biosynthesis.
CAS Number
76529-42-5
Smiles
C (CCCCCCCCCCO) CCCC (OC) =O
Molecular Formula
C16H32O3
Molecular Weight
272.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 15-Hydroxypentadecanoate

methyl 15-hydroxypentadecanoate has been reported in Stelletta with data available.

CAS Number76529-42-5
PubChem CID3496889
IUPAC Namemethyl 15-hydroxypentadecanoate
Molecular FormulaC16H32O3
Molecular Weight272.42
XLogP5.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity192
SMILES
COC(=O)CCCCCCCCCCCCCCO
InChI
InChI=1S/C16H32O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h17H,2-15H2,1H3
InChIKey
WQCYAHKAJFZVCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 15-Hydroxypentadecanoate
CAS: 76529-42-5
CID: 3496889
Formula: C16H32O3
MW: 272.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.42
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass272.23514488
Monoisotopic Mass272.23514488
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity192
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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