Hexadecanoic acid, 16-hydroxy-, methyl ester

CAT: 0127-OR1043033-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1043033-02Size:250 mg

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CAS Number

36575-67-4

Purity

95%

Smiles

OCCCCCCCCCCCCCCCC(=O)OC

Chemical Information

Methyl 16-hydroxyhexadecanoate

Methyl 16-hydroxyhexadecanoate has been reported in Pseudotsuga menziesii with data available.

CAS Number	36575-67-4
PubChem CID	3496888
IUPAC Name	methyl 16-hydroxyhexadecanoate
Molecular Formula	C17H34O3
Molecular Weight	286.4
XLogP	5.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	20
Formal Charge	0
Complexity	204

SMILES

COC(=O)CCCCCCCCCCCCCCCO

InChI

InChI=1S/C17H34O3/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h18H,2-16H2,1H3

InChIKey

AOTMRIXFFOGWDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36575-67-4

CID: 3496888

Formula: C17H34O3

MW: 286.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	286.4
XLogP3	5.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	286.25079494
Monoisotopic Mass	286.25079494
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	204
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
OR1069228-01	16- ((tert-Butoxycarbonyl) amino) hexadecanoic acid
OR1073391-01	16- (2H-Tetrazol-5-yl) hexadecanoic acid
OR1042708-01	Pentadecanoic acid, 15-hydroxy-, methyl ester
OR1034847-01	3-Pyridineacetic acid, a-hydroxy-, methyl ester
OR1042911-01	Benzenepropanoic acid, a-hydroxy-ß-methoxy-ß-phenyl-, methyl ester
OR85843-01	2-Thiophenecarboxylic acid, 5-hydroxy-, methyl ester
OR913101	4-Hydroxy-3-propylbenzoic acid methyl ester
BUP20406-01	8-oxo-hexadecanoic acid
OR919434-01	(R) - (-) -3-Hydroxy-2-methylpropionic acid methyl ester
OR913032-01	2-Chloro-4-hydroxy-benzoic acid methyl ester

Catalog	Name
M38184	Corynan-16-carboxylic acid, 17-hydroxy-, methyl ester
RM-S132240-01	Simvastatin Hydroxy Acid Methyl Ester; Tenivastatin Methyl Ester
289149-01	Simvastatin hydroxy acid methyl ester
sc-255956	16-Doxyl-stearic acid methyl ester
T37680-01	3-hydroxy Palmitic Acid methyl ester
020951	Simvastatin Hydroxy Acid Methyl Ester (Tenivastatin)
HY-W342499-01	3-Hydroxy myristic acid methyl ester
T85262-01	3-hydroxy Stearic Acid methyl ester
GTR19191923-01	2-hydroxy Stearic Acid methyl ester
GTR19232270-01	15-hydroxy Pentadecanoic Acid methyl ester