1-Hexen-3-one

CAT: 0024-sc-264834Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264834Size:5 g

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CAS Number

1629-60-3

Chemical Information

1-Hexen-3-one

1-hexen-3-one has been reported in Carica papaya with data available.

CAS Number	1629-60-3
PubChem CID	15395
IUPAC Name	hex-1-en-3-one
Molecular Formula	C6H10O
Molecular Weight	98.14
XLogP	1.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	74

SMILES

CCCC(=O)C=C

InChI

InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3

InChIKey

JTHNLKXLWOXOQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1629-60-3

CID: 15395

Formula: C6H10O

MW: 98.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.14
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	74.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-255832	1-Hexen-3-ol
sc-232743	4-Hexen-3-one, predominantly trans
sc-290919	5-Hydroxy-4-hexen-3-one
sc-290919A	5-Hydroxy-4-hexen-3-one
sc-233410	5-Methyl-3-hexen-2-one
sc-239565	Cis-3-Hexen-1-ol
sc-237186	Trans-3-Hexen-1-ol
sc-223697	5-Hexen-2-one
sc-223697A	5-Hexen-2-one
sc-485246	Cis-3-Hexen-1-yl Crotonate

Catalog	Name
FH31296-01	1-Hexen-3-one
TRC-H295020-10G	1-Hexen-3-one (>90%)
HY-W144021S	1-Hexen-3-one-d3
HY-W013007-01	4-Hexen-3-one
408105-01	1- (4-Ethoxyphenyl) -3-methyl-4-hexen-1-one
C7154-500	cis-3-Hexen-1-ol
280032-01	5-Hydroxy-4-hexen-3-one
AR-H07562-01	5-Methyl-4-Hexen-3-one
TRC-H185260-250MG	trans-3-Hexen-1-ol
GTR19252876-01	(E) -3-Hexen-1-ol