Name: Name:Hexadecanoic acid, 2-hydroxy-3,7,11,15-tetramethyl-
Brand: Angene
SKU: AG001EPT
Rating: 90 (10 reviews)

Hexadecanoic acid, 2-hydroxy-3,7,11,15-tetramethyl-

CAS No.:

14721-68-7

Catalog Number:

AG001EPT

Molecular Formula:

C20H40O3

Molecular Weight:

328.5298

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Product Description

Catalog Number:

AG001EPT

Chemical Name:

Hexadecanoic acid, 2-hydroxy-3,7,11,15-tetramethyl-

CAS Number:

14721-68-7

Molecular Formula:

C20H40O3

Molecular Weight:

328.5298

MDL Number:

MFCD05864053

IUPAC Name:

2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid

InChI:

InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)

InChI Key:

CGKMKXBKVBXUGK-UHFFFAOYSA-N

SMILES:

CC(CCCC(C(C(=O)O)O)C)CCCC(CCCC(C)C)C

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.298g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.537g/mol

Monoisotopic Mass:

328.298g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.6

Literature

Title	Journal
Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.	Journal of applied toxicology : JAT 20140701