2,4,6 –Octatrien-1-ol

2,4,6 –Octatrien-1-ol
Compound Structure:
Synonyms: 2,4,6-Octatrien-1-ol, 8,8-diethoxy-3,7-dimethyl-, (E,E,E)-;62055-47-4
Compound ID: NMPC-167
PubChem ID:

21501486
Molecular Formula: C14H24O3
Canonical SMILES: CCOC(C(=CC=CC(=CCO)C)C)OCC
InChIKey: WSQUWZNGGMMABL-YLQIKPOOSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

240.34 g/mol

XLogP3-AA

3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

8

Exact Mass

240.17254462 g/mol

Monoisotopic Mass

240.17254462 g/mol

Topological Polar Surface Area

38.7Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

271

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

3

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Strychnos innocua
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