Fenchyl acetate

Compound Structure:

Synonyms:

(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate; Fenchyl acetate; alpha-Fenchyl acetate; 2-Norbornanol, 1,3,3-trimethyl-, acetate; 3,3-Dimethyl-8,9-dinorbornan-2-yl acetate; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate; (1R)-(+)-Fenchyl acetate

Compound ID:

NMPC-1049

PubChem ID:

107217

Molecular Formula:

C12H20O2

Canonical SMILES:

CC(=O)OC1C(C2CCC1(C2)C)(C)C

InChIKey:

JUWUWIGZUVEFQB-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	196.29 g/mol
XLogP3-AA	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	196.146329876 g/mol
Monoisotopic Mass	196.146329876 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	270
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	Colourless mobile liquid; Mild, sweet, fir oil type aroma
Density	0.973-0.979
Solubility	Soluble in oils; Slightly soluble in water

Source: PubChem

Source Species:

Hyparrhenia rufa

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