1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tridecyl 2-hydroxypropanoate

2.1.2 InChI

InChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15(2)17/h15,17H,3-14H2,1-2H3

2.1.3 InChI Key

SHKJBDDQTGXMEY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCOC(=O)C(C)O

2.2 Other Identifiers

2.2.1 UNII

R2EZY7A44T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. C13 Alkyl Lactate

2. (+/-)-tridecyl Lactate

3. Tridecyl Lactate, (+/-)-

4. R2ezy7a44t

5. Propanoic Acid, 2-hydroxy-, Tridecyl Ester

6. 112147-23-6

7. Unii-r2ezy7a44t

8. Schembl7555822

9. Q27287704

2.4 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₂O₃
Molecular Weight	272.42 g/mol
XLogP3	6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	272.23514488 g/mol
Monoisotopic Mass	272.23514488 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	204
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

Tridecyl Lactate