1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

14-methylpentadecanoyl chloride

2.1.2 InChI

InChI=1S/C16H31ClO/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3

2.1.3 InChI Key

IDFHDQVZMFKVIW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CCCCCCCCCCCCC(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Isopalmitic Chloride

2. 57080-93-0

3. Isohexadecanoyl Chloride

4. Schembl2892879

5. Dtxsid90603004

6. Zinc59203451

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₁ClO
Molecular Weight	274.9 g/mol
XLogP3	7.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	17.1
Heavy Atom Count	18
Formal Charge	0
Complexity	190
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

14-Methylpentadecanoyl Chloride