Hexacosanoic Acid Ethyl Ester

CAT: 0024-sc-490427Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490427Size:100 mg

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CAS Number

29030-81-7

Chemical Information

Ethyl hexacosanoate

CAS Number	29030-81-7
PubChem CID	13297142
IUPAC Name	ethyl hexacosanoate
Molecular Formula	C28H56O2
Molecular Weight	424.7
XLogP	13.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	26
Heavy Atom Count	30
Formal Charge	0
Complexity	327

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC

InChI

InChI=1S/C28H56O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30-4-2/h3-27H2,1-2H3

InChIKey

VFWXXMBQXSOLQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29030-81-7

CID: 13297142

Formula: C28H56O2

MW: 424.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	424.7
XLogP3	13.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	26
Exact Mass	424.42803102
Monoisotopic Mass	424.42803102
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	327
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
sc-490983	Hexacosanoic Acid Methyl Ester-d3
sc-205340	Hexacosanoic Acid
sc-205340A	Hexacosanoic Acid
sc-205425A	Palmitoleic Acid ethyl ester
sc-205423	Palmitic Acid ethyl ester
sc-204904A	Stearic Acid ethyl ester
sc-205425	Palmitoleic Acid ethyl ester
sc-503271	Behenic Acid Ethyl Ester
sc-205376C	Linoleic Acid ethyl ester
sc-205376	Linoleic Acid ethyl ester

Catalog	Name
451818-01	Hexacosanoic Acid Ethyl Ester
451819	Hexacosanoic Acid Ethyl Ester-d5
451820-01	Hexacosanoic Acid Methyl Ester
TRC-H290927-50MG	Hexacosanoic Acid Methyl Ester-d3
FP27361-01	Pyruvic acid ethyl ester
IBA33159-01	Nalidixic acid ethyl ester
FL45827-01	Linolenic acid ethyl ester
HY-107343-01	Docosahexaenoic acid ethyl ester
TRC-C587375-2.5G	Clorazepic Acid Ethyl Ester
HY-B0747-01	Eicosapentaenoic acid ethyl ester