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Dodecanal Dimethyl Acetal

CAT: 0127-OR1077704Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1077704Size:25 mL
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CAS Number
14620-52-1
Synonyms
Lauryl Aldehyde Dimethyl Acetal / 1,1-Dimethoxydodecane
MDL Number
MFCD00036645
Purity
>97.0%
Smiles
CCCCCCCCCCCC (OC) OC

Chemical Information

1,1-Dimethoxydodecane

Dodecanal dimethyl acetal is an acetal.

CAS Number14620-52-1
PubChem CID84559
IUPAC Name1,1-dimethoxydodecane
Molecular FormulaC14H30O2
Molecular Weight230.39
XLogP5.7
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity122
SMILES
CCCCCCCCCCCC(OC)OC
InChI
InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3
InChIKey
AJUWUYJULVYGRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dimethoxydodecane
CAS: 14620-52-1
CID: 84559
Formula: C14H30O2
MW: 230.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.39
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass230.224580195
Monoisotopic Mass230.224580195
Topological Polar Surface Area18.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity122
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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sc-485646Dodecanal Dimethyl Acetal
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380478Hydrangenoside A dimethyl acetal
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B18240-01Bromoacetaldehyde dimethyl acetal

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