Heptadecadiene

Heptadecadiene
Compound Structure:
Synonyms: (3E)-Heptadeca-1,3-diene; Heptadecadiene
Compound ID: NMPC-1099
PubChem ID:

6365522
Molecular Formula: C17H32
Canonical SMILES: CCCCCCCCCCCCCC=CC=C
InChIKey: PEUHBSAKNWEJHZ-FNORWQNLSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

236.4 g/mol

XLogP3-AA

8.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

13

Exact Mass

236.250401021 g/mol

Monoisotopic Mass

236.250401021 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

167

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                        
Source Species: Tithonia rotundifolia
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