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(E) -3-Hexen-1-ol

CAT: 0013-GTR19252876-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252876-01Size:5 mg
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Description
(E) -3-Hexen-1-ol is an unsaturated alcohol possessing a grassy odour, suitable for biochemical experiments and drug synthesis research.
CAS Number
928-97-2
Product Name Alternative
(E) -Hex-3-en-1-ol, trans-3-Hexen-1-ol
Purity
99.25% (May vary between batches)
Smiles
C (=C/CC) \CCO
Molecular Formula
C6H12O
Molecular Weight
100.16
Storage Conditions
Keep away from moisture | Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

trans-3-Hexen-1-ol

Hex-3-en-1-ol is a primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1. It has a role as a plant metabolite. It is a volatile organic compound, a homoallylic alcohol, a primary alcohol and an alkenyl alcohol.

CAS Number928-97-2
PubChem CID5284503
IUPAC Name(E)-hex-3-en-1-ol
Molecular FormulaC6H12O
Molecular Weight100.16
XLogP1.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity48
SMILES
CC/C=C/CCO
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
InChIKey
UFLHIIWVXFIJGU-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of trans-3-Hexen-1-ol
CAS: 928-97-2
CID: 5284503
Formula: C6H12O
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass100.088815002
Monoisotopic Mass100.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity48.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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