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1,4-Cyclohexanedimethanol Dilaurate

CAT: 0024-sc-485513Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-485513Size:1 g
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CAS Number
135025-34-2

Chemical Information

1,4-Cyclohexanedimethanol Dilaurate
CAS Number135025-34-2
PubChem CID44630204
IUPAC Name[4-(dodecanoyloxymethyl)cyclohexyl]methyl dodecanoate
Molecular FormulaC32H60O4
Molecular Weight508.8
XLogP12
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count26
Heavy Atom Count36
Formal Charge0
Complexity464
SMILES
CCCCCCCCCCCC(=O)OCC1CCC(CC1)COC(=O)CCCCCCCCCCC
InChI
InChI=1S/C32H60O4/c1-3-5-7-9-11-13-15-17-19-21-31(33)35-27-29-23-25-30(26-24-29)28-36-32(34)22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKey
NYYKDXAFIQSBNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Cyclohexanedimethanol Dilaurate
CAS: 135025-34-2
CID: 44630204
Formula: C32H60O4
MW: 508.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.8
XLogP312
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count26
Exact Mass508.44916039
Monoisotopic Mass508.44916039
Topological Polar Surface Area52.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity464
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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CatalogName
TYD-01002-011,4-Cyclohexanedimethanol Dilaurate
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007278Trans-1,4-Cyclohexanedimethanol
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CAA65860-011,1-Cyclohexanedimethanol
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