Products for Research Use Only
RegisterLogin

Cis-3-hexenyl acetate

CAT: 0127-OR916315-01Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR916315-01Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3681-71-8
MDL Number
MFCD00036563
Purity
98%
Smiles
CC\C=C/CCOC(=O)C

Chemical Information

cis-3-HEXENYL ACETATE

(3Z)-hex-3-en-1-yl acetate is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It is functionally related to an acetic acid and a (Z)-hex-3-en-1-ol.

CAS Number3681-71-8
PubChem CID5363388
IUPAC Name[(Z)-hex-3-enyl] acetate
Molecular FormulaC8H14O2
Molecular Weight142.20
XLogP1.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
CC/C=C\CCOC(=O)C
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey
NPFVOOAXDOBMCE-PLNGDYQASA-N
Chemical Structure
2D Structure
2D structure of cis-3-HEXENYL ACETATE
CAS: 3681-71-8
CID: 5363388
Formula: C8H14O2
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
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

Related Products

CatalogName
OR1012682-01Cis-3-Hexenyl Cis-3-Hexenoate
OR1012680-01Cis-3-Hexenyl Benzoate
OR1012683-01Cis-3-Hexenyl Lactate
OR1012681Cis-3-Hexenyl Butyrate
BUP19499Cis-3-Hexenyl hexanoate
OR1025146-01Cis-3-Hexenyl Isobutyrate
BUP13778-01Cis-3-Hexenyl Butyrate
OR1077688Cis-3-Hexenyl Pyruvate
OR1012684-01Cis-3-Hexenyl Propionate
OR1028684-01Cis-3-Hexenyl Formate

Alternative Products

CatalogName
DAA68171Cis-3-Hexenyl Acetate
HY-W015710SCis-3-Hexenyl Acetate-d2
AR-H07555-01(E) -3-Hexenyl Acetate
sc-2269735-Hexenyl acetate
sc-237162Trans-2-Hexenyl acetate
H05845-01Trans-2-Hexenyl acetate 98%
sc-471349Cis-3,3,5-Trimethylcyclohexyl Acetate
TRC-R252100-10MG9-cis-Retinol Acetate
MBS3842969-0111-cis-Vaccenyl acetate
MBS581641113-cis-Retinyl acetate

Popular Products