Cis,cis,cis-7,10,13-Hexadecatrienal

Cis,cis,cis-7,10,13-Hexadecatrienal
Compound Structure:
Synonyms: cis,cis,cis-7,10,13-Hexadecatrienal;(7Z,10Z,13Z)-7,10,13-Hexadecatrienal
Compound ID: NMPC-759
PubChem ID:

5367366
Molecular Formula: C16H26O
Canonical SMILES: CCC=CCC=CCC=CCCCCCC=O
InChIKey: USMAGXMGZXKLHT-PDBXOOCHSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

234.38 g/mol

XLogP3-AA

4.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

11

Exact Mass

234.198365449 g/mol

Monoisotopic Mass

234.198365449 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

236

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: Crateva adansonii
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