(R)-2-methylbutyraldehyde

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Basic information

CAS: 33204-48-7
Standard SMILES: CC[C@@H](C)C=O
InChIKey: BYGQBDHUGHBGMD-RXMQYKEDSA-N
Molecular formula: C5H10O
Average molar mass: 86.13 g/mol
Monoisotopic mass: 86.07316494

Names & identifiers

Preferred name: (R)-2-methylbutyraldehyde
IUPAC: (2R)-2-methylbutanal
English name: (R)-2-methylbutanal
Molecular formula: C5H10O
Molecular weight: 86.13

Names & synonyms

(R)-2-methylbutyraldehyde33204-48-7DTXSID90426270RefChem:210882DTXCID60377104(2R)-2-methylbutanal(r)-2-methylbutanalSCHEMBL3485198SCHEMBL6439589(A+/-)-2-methyl-butyraldehydeButanal, 2-methyl-, (2R)-

Database identifiers

CAS: 33204-48-7
PubChem CID: 6971248
DTXSID: DTXSID90426270
Nikkaji: J52.861G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 41.2

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point: 80 · 80-82 °C(Press: 745 Torr)
Density: 0.791 · 0.791±0.06 g/cm3(Predicted)
Odor: 10 % · at 10.00 % in propylene glycol. burnt cocoa coffee
Odor Type: burnt
InChI: InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKey: BYGQBDHUGHBGMD-RXMQYKEDSA-N
SMILES: C(=O)[C@H](C)CC
LogP: 1.267 · 1.267 (est)

Chemistry & industry

Upstream & downstream products

Downstream products

Related reactions

2 records

New reaction record

HRID 2307208As solventuspto-grants-2004_12

HRID 2307209As solventuspto-grants-2004_12

Compound notes

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