2-Octadecyleicosanoic Acid

CAT: 0572-TRC-O235960-1GSize: 1 gDry Ice: NoHazardous: No

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CAS Number

108293-08-9

Hazard Statement

No Data Available

Smiles

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(=O)O

Molecular Formula

C38H76O2

Molecular Weight

565.01

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

2-Octadecylicosanoic acid

CAS Number	108293-08-9
PubChem CID	13829617
IUPAC Name	2-octadecylicosanoic acid
Molecular Formula	C38H76O2
Molecular Weight	565.0
XLogP	18.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	35
Heavy Atom Count	40
Formal Charge	0
Complexity	438

SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38(39)40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,39,40)

InChIKey

RIQSWUKPKYYGQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108293-08-9

CID: 13829617

Formula: C38H76O2

MW: 565.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	565.0
XLogP3	18.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	35
Exact Mass	564.58453166
Monoisotopic Mass	564.58453166
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	438
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

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Catalog	Name
418988-01	2-Octadecyleicosanoic Acid
sc-478000	2-Octadecyleicosanoic Acid Methyl Ester
sc-477997	2-Octadecyleicosanoic Acid Ethyl Ester
418992	2-Octadecyleicosanoic Acid Methyl-d3 Ester
sc-477998	2-Octadecyleicosanoic Acid Ethyl-d5 Ester
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
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MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
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2-Octadecyleicosanoic Acid

Chemical Information

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