Eicosane-9-phenyl

Eicosane-9-phenyl
Compound Structure:
Synonyms: icosan-9-ylbenzene; 9-PHENYLEICOSANE; Eicosane, 9-phenyl-; Benzene, (1-octyldodecyl)-; (Icosan-9-yl)benzene; (1-Octyldodecyl)benzene
Compound ID: NMPC-997
PubChem ID:

16973
Molecular Formula: C26H46
Canonical SMILES: CCCCCCCCCCCC(CCCCCCCC)C1=CC=CC=C1
InChIKey: KZUKFVROQBTEQY-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

358.6 g/mol

XLogP3-AA

12.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

18

Exact Mass

358.359951467 g/mol

Monoisotopic Mass

358.359951467 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

26

Formal Charge

0

Complexity

263

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Hippocratea indica
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