Isobutyl dodecanoate

CAT: 0024-sc-279226Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-279226Size:25 mL

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CAS Number

37811-72-6

Chemical Information

Isobutyl laurate

Isobutyl laurate has been reported in Mangifera indica with data available.

CAS Number	37811-72-6
PubChem CID	101338
IUPAC Name	2-methylpropyl dodecanoate
Molecular Formula	C16H32O2
Molecular Weight	256.42
XLogP	6.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Heavy Atom Count	18
Formal Charge	0
Complexity	188

SMILES

CCCCCCCCCCCC(=O)OCC(C)C

InChI

InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3

InChIKey

SZFOMJOELAAHAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37811-72-6

CID: 101338

Formula: C16H32O2

MW: 256.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.42
XLogP3	6.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Exact Mass	256.240230259
Monoisotopic Mass	256.240230259
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	188
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
T84140-01	Ethyl dodecanoate
MBS392515-01	Methyl Dodecanoate
GL6866-100g	Sodium dodecanoate
BUP19570	Propyl dodecanoate
GTR19238522-01	Hexyl dodecanoate
274078-01	Disuccinimidyl dodecanoate
RG-B070002-01	Butyl Dodecanoate
OR1023565-01	Vinyl Dodecanoate
BUP13710-01	Pentyl dodecanoate
GTR19245169-01	Benzyl dodecanoate