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Dicyclohexyl Carbonate

CAT: 0572-TRC-D438505-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D438505-1GSize:1 g
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CAS Number
4427-97-8
Synonyms
Carbonic Acid Dicyclohexyl Ester; Cyclohexyl Carbonate ((C6H11)2CO3)
Hazard Statement
No Data Available
Smiles
O=C(OC1CCCCC1)OC2CCCCC2
Molecular Formula
C13H22O3
Molecular Weight
226.31
InChI
InChI=1S/C13H22O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2
Additionnal Information
IUPAC name: dicyclohexyl carbonate
Shipping Conditions
Room Temperature

Chemical Information

Dicyclohexyl carbonate
CAS Number4427-97-8
PubChem CID138235
IUPAC Namedicyclohexyl carbonate
Molecular FormulaC13H22O3
Molecular Weight226.31
XLogP4.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity193
SMILES
C1CCC(CC1)OC(=O)OC2CCCCC2
InChI
InChI=1S/C13H22O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
FYIBPWZEZWVDQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicyclohexyl carbonate
CAS: 4427-97-8
CID: 138235
Formula: C13H22O3
MW: 226.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.31
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass226.15689456
Monoisotopic Mass226.15689456
Topological Polar Surface Area35.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity193
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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Alternative Products

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FD142457Dicyclohexyl carbonate
446727Dicyclohexyl Carbonate-d22
FD44047-01Dicyclohexyl disulfide
T20569-01Dicyclohexyl ketone
90033293Dicyclohexyl phthalate
AR-D06993-01Dicyclohexyl Methanol
AR-S10994-01Dicyclohexyl Sulfate

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