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Propyl caprate

CAT: 0931-T21239-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21239-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30673-60-0
Target
Others
Related Pathways
Others
Bioactivity
Propyl caprate is a biochemical.
Smiles
O=C(OCCC)CCCCCCCCC
Molecular Formula
C13H26O2
Molecular Weight
214.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propyl caprate

Propyl decanoate is a decanoate ester obtained by the formal condensation of carboxy group of decanoic acid with propanol. It has a role as a Saccharomyces cerevisiae metabolite. It is functionally related to a propan-1-ol and a decanoic acid.

CAS Number30673-60-0
PubChem CID121739
IUPAC Namepropyl decanoate
Molecular FormulaC13H26O2
Molecular Weight214.34
XLogP5.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity143
SMILES
CCCCCCCCCC(=O)OCCC
InChI
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3
InChIKey
OVFMRFMJVFDSAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl caprate
CAS: 30673-60-0
CID: 121739
Formula: C13H26O2
MW: 214.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.34
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass214.193280068
Monoisotopic Mass214.193280068
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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