Hexadecyl pentyl ether

Hexadecyl pentyl ether
Compound Structure:
Synonyms: 1-Pentoxyhexadecane; Hexadecyl pentyl ether
Compound ID: NMPC-1121
PubChem ID:

54437235
Molecular Formula: C21H44O
Canonical SMILES: CCCCCCCCCCCCCCCCOCCCCC
InChIKey: LVEVHZZBALTDLY-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

312.6 g/mol

XLogP3-AA

9.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

19

Exact Mass

312.339216023 g/mol

Monoisotopic Mass

312.339216023 g/mol

Topological Polar Surface Area

9.2Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

179

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

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Gossypium barbadense
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