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Dipentyl carbonate

CAT: 1266-JH202405Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2050-94-4
HS Code
2917399090
Stability
2-8°C
Molecular Formula
C11H22O3
Molecular Weight
202.29
Product Name Synonym
Di-n-pentylcarbonat
Physical Properties
Light yellow clear liquid.
Safety Statements
S26
Density
0.919g/cm3
Flash Point
92.3oC
Melting Point
104-107oC (lit.)

Chemical Information

Dipentyl carbonate
CAS Number2050-94-4
PubChem CID222266
IUPAC Namedipentyl carbonate
Molecular FormulaC11H22O3
Molecular Weight202.29
XLogP4.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity120
SMILES
CCCCCOC(=O)OCCCCC
InChI
InChI=1S/C11H22O3/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
HSNQKJVQUFYBBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dipentyl carbonate
CAS: 2050-94-4
CID: 222266
Formula: C11H22O3
MW: 202.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.29
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass202.15689456
Monoisotopic Mass202.15689456
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity120
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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