Hexyl dodecanoate

CAT: 0127-BUP11316-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11316-01Size:25 mg

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CAS Number

34316-64-8

Purity

=95%

Smiles

CCCCCCCCCCCC(=O)OCCCCCC

Chemical Information

Hexyl Laurate

Hexyl dodecanoate is a fatty acid ester.

CAS Number	34316-64-8
PubChem CID	94454
IUPAC Name	hexyl dodecanoate
Molecular Formula	C18H36O2
Molecular Weight	284.5
XLogP	7.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	20
Formal Charge	0
Complexity	202

SMILES

CCCCCCCCCCCC(=O)OCCCCCC

InChI

InChI=1S/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3

InChIKey

CMBYOWLFQAFZCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34316-64-8

CID: 94454

Formula: C18H36O2

MW: 284.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.5
XLogP3	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	284.271530387
Monoisotopic Mass	284.271530387
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	202
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
BUP19570	Propyl dodecanoate
OR74480-01	Propyl dodecanoate
OR1015023-01	Sodium Dodecanoate
OR1023565-01	Vinyl Dodecanoate
BUP13710-01	Pentyl dodecanoate
OR17703-01	Methyl dodecanoate
OR1101519-01	Lithium Dodecanoate
OR1024683-01	Chloromethyl Dodecanoate
OR1028345	Dodecyl Dodecanoate
OR55322-01	Pentachlorophenyl dodecanoate

Catalog	Name
GTR19238522-01	Hexyl dodecanoate
T84140-01	Ethyl dodecanoate
MBS392515-01	Methyl Dodecanoate
GL6866-100g	Sodium dodecanoate
GTR19238543	Propyl dodecanoate
274078-01	Disuccinimidyl dodecanoate
RG-B070002-01	Butyl Dodecanoate
sc-214553	Arachidyl dodecanoate
sc-214695	Cholesteryl dodecanoate
GTR19245169-01	Benzyl dodecanoate