Cetocire

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-methoxyethoxy)hexadecane

2.1.2 InChI

InChI=1S/C19H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19-18-20-2/h3-19H2,1-2H3

2.1.3 InChI Key

IQXJCCZJOIKIAD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCOCCOC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Cetomacrogol1000

2. Schembl5439872

2.3 Create Date

2008-07-11

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₄₀O₂
Molecular Weight	300.5 g/mol
XLogP3	7.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	18
Exact Mass	300.302830514 g/mol
Monoisotopic Mass	300.302830514 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	171
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

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