E-2-Hexenal

Compound Structure:

Synonyms:

(E)-2-deuteriohex-2-enal; (E)-2-Hexenal; n-Hex-trans-2-enal; trans-Hex-2-enal; trans-2-Hexen-1-al; Leaf aldehyde; 2-trans-Hexenal; (2E)-2-Hexenal; 2-(E)-Hexenal; (E)-Hex-2-en-1-al; (E)-Hex-2-enal; Hex-2(E)-enal

Compound ID:

NMPC-991

PubChem ID:

166643343

Molecular Formula:

C6H10O

Canonical SMILES:

CCCC=CC=O

InChIKey:

MBDOYVRWFFCFHM-XZRIGFBESA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	99.15 g/mol
XLogP3-AA	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	99.079441684 g/mol
Monoisotopic Mass	99.079441684 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	64.6
Isotope Atom Count	1
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:

Hirsute Palisota
Eugenia uniflora
Mucuna pruriens

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