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E-5-Decen-1-yl acetate

CAT: 0024-sc-294445ASize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-294445ASize:50 mg
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CAS Number
38421-90-8

Chemical Information

(E)-5-Decenyl acetate

5E-Decenyl acetate is a carboxylic ester.

CAS Number38421-90-8
PubChem CID5363095
IUPAC Name[(E)-dec-5-enyl] acetate
Molecular FormulaC12H22O2
Molecular Weight198.30
XLogP3.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity162
SMILES
CCCC/C=C/CCCCOC(=O)C
InChI
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3/b7-6+
InChIKey
VTUFOIHYMMMNOM-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of (E)-5-Decenyl acetate
CAS: 38421-90-8
CID: 5363095
Formula: C12H22O2
MW: 198.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.30
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity162
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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