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Chemistry

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Also known as: Cetomacrogol1000, Schembl5439872
Molecular Formula
C19H40O2
Molecular Weight
300.5  g/mol
InChI Key
IQXJCCZJOIKIAD-UHFFFAOYSA-N

Cetocire
1 2D Structure

Cetocire

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 Weight 300.5 g/mol
Molecular Formula C19H40O2
XLogP37.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass300.302830514 g/mol
Monoisotopic Mass300.302830514 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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