Basic information
- CAS
22414-70-6- Standard SMILES
C=C(C=O)C(C)CC(C)(C)C- InChIKey
WKYDOWGZVLXESO-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 2-Methylene-3,5,5-trimethylhexanal
- IUPAC
- 3,5,5-trimethyl-2-methylidenehexanal
- English name
- 2-methylene-3,5,5-trimethylhexanal
- Molecular formula
- C10H18O
- Molecular weight
- 154.24932
Names & synonyms
2-Methylene-3,5,5-trimethylhexanal22414-70-63,5,5-trimethyl-2-methylidenehexanalEINECS 244-973-1SCHEMBL3197355DTXSID00945068[rac]-2-Methylene-3,5,5-trimethylhexanalNS000495353,5,5-Trimethyl-2-methylenehexanal
Database identifiers
- CAS
22414-70-6- PubChem CID
- 90773
- DTXSID
DTXSID00945068- EC Number
- 244-973-1
- Nikkaji
- J285.500C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Odor
- 1 % · at 1.00 % in dipropylene glycol. Minty camphoreous
- Odor Type
- minty
- LogP
- 3.328 · 3.328 (est)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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