2-(octadeca-9Z,12Z-dienyloxy)ethanol

2-(octadeca-9Z,12Z-dienyloxy)ethanol
Compound Structure:
Synonyms: 2-cis,cis-9,12-Octadecadienyloxyethanol;SCHEMBL12349212;2-((9Z,12Z)-octadeca-9,12-dienyloxy)ethanol;2-[(9Z,12Z)-9,12-Octadecadienyloxy]ethanol #;Ethanol, 2-(9,12-octadecadienyloxy)-, (Z,Z)-
Compound ID: NMPC-146
PubChem ID:

5365675
Molecular Formula: C20H38O2
Canonical SMILES: CCCCCC=CCC=CCCCCCCCCOCCO
InChIKey: LPJRIXGJBNDMDD-HZJYTTRNSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

310.5 g/mol

XLogP3-AA

6.6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

17

Exact Mass

310.287180451 g/mol

Monoisotopic Mass

310.287180451 g/mol

Topological Polar Surface Area

29.5Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

246

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Vernonia blumeoides
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