β-Sinensal

Compound Structure:

Synonyms:

beta-Sinensal ;sinensal; trans-beta-Sinensal; 60066-88-8; 3779-62-2

Compound ID:

NMPC-1655

PubChem ID:

Molecular Formula:

C15H22O

Canonical SMILES:

CC(=CCCC(=C)C=C)CCC=C(C)C=O

InChIKey:

NOPLRNXKHZRXHT-YFVJMOTDSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	218.33 g/mol
XLogP3-AA	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	218.167065321 g/mol
Monoisotopic Mass	218.167065321 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	305
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
Physical Description	colourless to orange liquid; citrus-like aroma
Boiling Point	180.00 °C. @ 1.00 mm Hg
Density	0.917-0.923
Solubility	Insoluble in water; soluble in oils

Source:PubChem

Source Species:

Tetrapleura tetraptera

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