Solutol Hs 15

Synopsis, Chemistry

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Also known as: Solutol hs 15, 61909-81-7, 105109-85-1, 6284-41-9, Schembl505106, Chebi:9194

Molecular Formula

C₂₀H₄₀O₄

Molecular Weight

344.5 g/mol

InChI Key

JVKUCNQGESRUCL-UHFFFAOYSA-N

1 2D Structure

Solutol Hs 15

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxyethyl 12-hydroxyoctadecanoate

2.1.2 InChI

InChI=1S/C20H40O4/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21/h19,21-22H,2-18H2,1H3

2.1.3 InChI Key

JVKUCNQGESRUCL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCCO)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Solutol Hs 15

2. Solutol-hs15

2.2.2 Depositor-Supplied Synonyms

1. Solutol Hs 15

2. 61909-81-7

3. 105109-85-1

4. 6284-41-9

5. Schembl505106

6. Chebi:9194

7. Dtxsid90909336

8. Nsc7395

9. Chebi:177412

10. Bcp34187

11. Nsc-7395

12. 2-hydroxyethyl-12-hydroxyoctadecanoate

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₄₀O₄
Molecular Weight	344.5 g/mol
XLogP3	5.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	19
Exact Mass	344.29265975 g/mol
Monoisotopic Mass	344.29265975 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1