Docosyl octyl ether

Docosyl octyl ether
Compound Structure:
Synonyms: 1-octoxydocosane; Docosyl octyl ether
Compound ID: NMPC-979
PubChem ID:

87077486
Molecular Formula: C30H62O
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCOCCCCCCCC
InChIKey: OTMSWDYVEWJAKI-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

438.8 g/mol

XLogP3-AA

14.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

28

Exact Mass

438.480066597 g/mol

Monoisotopic Mass

438.480066597 g/mol

Topological Polar Surface Area

9.2Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

288

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: Terminalia superba
Dioscorea dumetorum
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