Lilac-aldehyde-B

Compound Structure:

Synonyms:

2-(5-ethenyl-5-methyloxolan-2-yl)propanal; Lilac aldehyde; Lilac aldehyde B; 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)propanal; 2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propanal; 2-(5-ethenyl-5-methyltetrahydrofuran-2-yl)propanal

Compound ID:

NMPC-1199

PubChem ID:

155007

Molecular Formula:

C10H16O2

Canonical SMILES:

CC(C=O)C1CCC(O1)(C)C=C

InChIKey:

YPZQHCLBLRWNMJ-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	168.23 g/mol
XLogP3-AA	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	168.115029749 g/mol
Monoisotopic Mass	168.115029749 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Clear colourless liquid; Floral aroma reminiscent of lilac
Density	0.951-0.961 (20Â°)

Source: PubChem

Source Species:

Hirsute Palisota

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