2-Dodecyltetradecanoic Acid

CAT: 1596-AR-D07435-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07435-02Size:25 Units

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CAS Number

24251-98-7

Molecular Formula

C26H52O2

Molecular Weight

396.70

API Name

Dodecanoic acid

Chemical Information

2-Dodecyltetradecanoic acid

2-Dodecyltetradecanoic acid has been reported in Pinus taeda with data available.

CAS Number	24251-98-7
PubChem CID	14703945
IUPAC Name	2-dodecyltetradecanoic acid
Molecular Formula	C26H52O2
Molecular Weight	396.7
XLogP	11.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	23
Heavy Atom Count	28
Formal Charge	0
Complexity	290

SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C26H52O2/c1-3-5-7-9-11-13-15-17-19-21-23-25(26(27)28)24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H,27,28)

InChIKey

VGYLKAYTYZXMTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24251-98-7

CID: 14703945

Formula: C26H52O2

MW: 396.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.7
XLogP3	11.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	23
Exact Mass	396.396730897
Monoisotopic Mass	396.396730897
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	290
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
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Catalog	Name
159559-01	2-Dodecyltetradecanoic Acid
417460-01	2-Dodecyltetradecanoic Acid Ethyl Ester
417462-01	2-Dodecyltetradecanoic Acid Methyl Ester
417461-01	2-Dodecyltetradecanoic Acid Ethyl-d5 Ester
417463-01	2-Dodecyltetradecanoic Acid Methyl-d3 Ester
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)