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Pivaldehyde

CAT: 0926-FP27086-04Size: 0.25 kgDry Ice: NoHazardous: No
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CAS Number
630-19-3
Synonyms
Trimethylacetaldehyde;2,2-Dimethylpropanal;2,2-Dimethylpropanone
MDL Number
MFCD00006962
Smiles
CC (C) (C) C=O
Molecular Formula
C5H10O
Molecular Weight
86.13 g/mol
Controlled
No

Chemical Information

Pivalaldehyde

2,2-dimethylpropanal is a member of the class of propanals that is propanal substituted by two methyl groups at position 2. It is a member of propanals and a 2-methyl-branched fatty aldehyde.

CAS Number630-19-3
PubChem CID12417
IUPAC Name2,2-dimethylpropanal
Molecular FormulaC5H10O
Molecular Weight86.13
XLogP1.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity49
SMILES
CC(C)(C)C=O
InChI
InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
InChIKey
FJJYHTVHBVXEEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pivalaldehyde
CAS: 630-19-3
CID: 12417
Formula: C5H10O
MW: 86.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.13
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass86.073164938
Monoisotopic Mass86.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity49.4
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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