3-Methyldecan-1-al
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Basic information
- CAS
77772-07-7- Standard SMILES
CCCCCCCC(C)CC=O- InChIKey
QLWNBLGQVMVTEI-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- 3-Methyldecan-1-al
- IUPAC
- 3-methyldecanal
- English name
- 3-methyldecan-1-al
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
3-Methyldecan-1-al77772-07-7EINECS 278-767-83-methyldecanalSCHEMBL1067436DTXSID10998964QLWNBLGQVMVTEI-UHFFFAOYSA-NNS00058130Decanal, 3-methyl-
Database identifiers
- CAS
77772-07-7- PubChem CID
- 3018741
- DTXSID
DTXSID10998964- EC Number
- 278-767-8
- Nikkaji
- J319.690I
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 99.2
Physicochemical properties
- Melting point
- -2 °C · -2°C (estimate)
- Boiling point
- 229.96 °C · 229.96°C (estimate)
- Density
- 0.8374 · 0.8374 (estimate)
- refractive index
- 1.428 · 1.4280 (estimate)
- LogP
- 4.442 · 4.442 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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