1-Cyclopropyl-4,4-dimethylpentane-1,3-dione
Basic information
- CAS
67078-76-6- Standard SMILES
CC(C)(C)C(=O)CC(=O)C1CC1- InChIKey
RTEXCQDRISITOR-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 1-Cyclopropyl-4,4-dimethylpentane-1,3-dione
- IUPAC
- 1-cyclopropyl-4,4-dimethylpentane-1,3-dione
- English name
- 1-cyclopropyl-4,4-dimethylpentane-1,3-dione
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23284
Names & synonyms
1-cyclopropyl-4,4-dimethylpentane-1,3-dione67078-76-6SCHEMBL13583307SCA07876AKOS009264977DS-021708CS-0256837EN300-65346Z361882654
Database identifiers
- CAS
67078-76-6- PubChem CID
- 28937661
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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